4-methyl-3-[[4-[(2-methylphenyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoic acid

C20H18N2O5S2 — CID 22307959

IUPAC4-methyl-3-[[4-[(2-methylphenyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)c1cc(S(=O)(=O)Nc2ccccc2C)cs1
InChIInChI=1S/C20H18N2O5S2/c1-12-5-3-4-6-16(12)22-29(26,27)15-10-18(28-11-15)19(23)21-17-9-14(20(24)25)8-7-13(17)2/h3-11,22H,1-2H3,(H,21,23)(H,24,25)
InChIKeyNROIHHZVCCHFEL-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.12
Rot. Bonds6

About 4-methyl-3-[[4-[(2-methylphenyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoic acid

4-methyl-3-[[4-[(2-methylphenyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoic acid (PubChem CID 22307959) has the molecular formula C20H18N2O5S2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 4-methyl-3-[[4-[(2-methylphenyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name4-methyl-3-[[4-[(2-methylphenyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoic acid
PubChem CID22307959
Molecular FormulaC20H18N2O5S2
Molecular Weight430.51 g/mol
Exact Mass430.07
IUPAC Name4-methyl-3-[[4-[(2-methylphenyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)c1cc(S(=O)(=O)Nc2ccccc2C)cs1
InChIInChI=1S/C20H18N2O5S2/c1-12-5-3-4-6-16(12)22-29(26,27)15-10-18(28-11-15)19(23)21-17-9-14(20(24)25)8-7-13(17)2/h3-11,22H,1-2H3,(H,21,23)(H,24,25)
InChIKeyNROIHHZVCCHFEL-UHFFFAOYSA-N
XLogP4.12
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-methyl-3-[[4-[(2-methylphenyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylphenyl)-4-(propan-2-ylsulfamoyl)thiophene-2-carboxamide
CID 6504111
4,5-dimethoxy-2-[[4-[(2-methylphenyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoic acid
CID 22307958
4-[(4-hydroxyphenyl)sulfamoyl]-N-(2-methylphenyl)thiophene-2-carboxamide
CID 6504088
N-(2-methylphenyl)-4-[(3-methylphenyl)sulfamoyl]thiophene-2-carboxamide
CID 6504099
4-(cyclopentylsulfamoyl)-N-(2-methylphenyl)thiophene-2-carboxamide
CID 6504119
2-[[4-(propan-2-ylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid
CID 6504079
4-(dimethylsulfamoyl)-N-(2-methylphenyl)thiophene-2-carboxamide
CID 6503064
2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoic acid
CID 27261800
N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
N-(2-methylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)thiophene-2-carboxamide
CID 6504124
4-methyl-3-(pyridine-2-carbonylamino)benzoic acid
CID 16771811
4-methyl-3-(naphthalen-2-ylsulfonylamino)benzoic acid
CID 2451680

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[4-[(2-methylphenyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoic acid?
The IUPAC name of 4-methyl-3-[[4-[(2-methylphenyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoic acid (CID 22307959) is 4-methyl-3-[[4-[(2-methylphenyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoic acid.
What is the SMILES notation for 4-methyl-3-[[4-[(2-methylphenyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoic acid?
The canonical SMILES for 4-methyl-3-[[4-[(2-methylphenyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoic acid is Cc1ccc(C(=O)O)cc1NC(=O)c1cc(S(=O)(=O)Nc2ccccc2C)cs1.
What is the InChIKey of 4-methyl-3-[[4-[(2-methylphenyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoic acid?
The InChIKey is NROIHHZVCCHFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5S2/c1-12-5-3-4-6-16(12)22-29(26,27)15-10-18(28-11-15)19(23)21-17-9-14(20(24)25)8-7-13(17)2/h3-11,22H,1-2H3,(H,21,23)(H,24,25).
What are the key properties of 4-methyl-3-[[4-[(2-methylphenyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoic acid?
4-methyl-3-[[4-[(2-methylphenyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoic acid has a molecular weight of 430.51 g/mol, XLogP of 4.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[4-[(2-methylphenyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoic acid is sourced from PubChem (CID 22307959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).