N-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]thiophene-3-carboxamide

C20H19N3O4S2 — CID 18558971

IUPACN-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]thiophene-3-carboxamide
SMILESCNC(=O)c1ccsc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H19N3O4S2/c1-13-7-9-14(10-8-13)29(26,27)23-17-6-4-3-5-15(17)19(25)22-20-16(11-12-28-20)18(24)21-2/h3-12,23H,1-2H3,(H,21,24)(H,22,25)
InChIKeyQAVDNAUGBONFNY-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.47
Rot. Bonds6

About N-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]thiophene-3-carboxamide

N-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]thiophene-3-carboxamide (PubChem CID 18558971) has the molecular formula C20H19N3O4S2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]thiophene-3-carboxamide
PubChem CID18558971
Molecular FormulaC20H19N3O4S2
Molecular Weight429.52 g/mol
Exact Mass429.08
IUPAC NameN-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]thiophene-3-carboxamide
SMILESCNC(=O)c1ccsc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H19N3O4S2/c1-13-7-9-14(10-8-13)29(26,27)23-17-6-4-3-5-15(17)19(25)22-20-16(11-12-28-20)18(24)21-2/h3-12,23H,1-2H3,(H,21,24)(H,22,25)
InChIKeyQAVDNAUGBONFNY-UHFFFAOYSA-N
XLogP3.47
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]thiophene-3-carboxamide 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

4-methyl-N-[2-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzenesulfonamide
CID 4711775
N-(4-iodophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 126385456
2-[(4-methylphenyl)sulfonylamino]thiophene-3-carboxylic acid
CID 16778282
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 3521473
methyl 2-methyl-3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 2980517
2-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 3976213
2-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 45006642
N-[4-(difluoromethoxy)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 4785775
2-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-N-methylthiophene-3-carboxamide
CID 16803047
2-[[5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 23378599
2-[(4-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 2973231

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]thiophene-3-carboxamide?
The IUPAC name of N-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]thiophene-3-carboxamide (CID 18558971) is N-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for N-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for N-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]thiophene-3-carboxamide is CNC(=O)c1ccsc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]thiophene-3-carboxamide?
The InChIKey is QAVDNAUGBONFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S2/c1-13-7-9-14(10-8-13)29(26,27)23-17-6-4-3-5-15(17)19(25)22-20-16(11-12-28-20)18(24)21-2/h3-12,23H,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]thiophene-3-carboxamide?
N-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]thiophene-3-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 18558971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).