CC1=NOC(=C1Cl)NS(=O)(=O)C2=C(SC=C2)C(=O)NC3=CC(=C(C=C3C#N)OC)OC
Name: 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-cyano-4,5-dimethoxyphenyl)thiophene-2-carboxamide
SMILES: CC1=NOC(=C1Cl)NS(=O)(=O)C2=C(SC=C2)C(=O)NC3=CC(=C(C=C3C#N)OC)OC

Molecular Processing

Molecular formula
C18H15ClN4O6S2
Molecular weight
482.93
Exact mass
482.0122
XLogP
3.64
TPSA
143.55
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
113.59

Supplementary Information

InChIKey: DDLQURLFWCNWJP-UHFFFAOYSA-N
Synonyme
CHEMBL44544SCHEMBL4631504DDLQURLFWCNWJP-UHFFFAOYSA-NBDBM50058120L0156523-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carboxylic acid (2-cyano-4,5-dimethoxy-phenyl)-amideN-(4-chloro-3-methyl-5-isoxazolyl)-2-[{2-cyano-4, 5-dimethoxyphenyl)aminocarbonyl]-thiophene-3-sulfonamideN-(4-chloro-3-methyl-5-isoxazolyl)-2-[{2-cyano-4,5-dimethoxyphenyl)aminocarbonyl]-thiophene-3-sulfonamideN-(4-chloro-3-methyl-5-isoxazolyl)-2-[{2-cyano-4,5-dimethoxyphenyl)aminocarbonyl]thiophene-3-sulfonamide
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