N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide

C19H19N3O4S2 — CID 25405569

IUPACN-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc(C(=O)Nc3ccc(C)c(C)c3)cs2)cc1
InChIInChI=1S/C19H19N3O4S2/c1-12-4-5-14(10-13(12)2)20-18(23)17-11-27-19(21-17)22-28(24,25)16-8-6-15(26-3)7-9-16/h4-11H,1-3H3,(H,20,23)(H,21,22)
InChIKeyHETSEQCPPBUGAS-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.82
Rot. Bonds6

About N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide

N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide (PubChem CID 25405569) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
PubChem CID25405569
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC NameN-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc(C(=O)Nc3ccc(C)c(C)c3)cs2)cc1
InChIInChI=1S/C19H19N3O4S2/c1-12-4-5-14(10-13(12)2)20-18(23)17-11-27-19(21-17)22-28(24,25)16-8-6-15(26-3)7-9-16/h4-11H,1-3H3,(H,20,23)(H,21,22)
InChIKeyHETSEQCPPBUGAS-UHFFFAOYSA-N
XLogP3.82
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-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

N-(3,4-dimethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 25405759
N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109107
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109109
N-(3-fluoro-4-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 25405775
N-(2-methoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109102
N-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26593901
N-(2-methoxy-5-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 25405780
N-(4-methoxy-3-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16945038
N-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109088
2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 25405503
2-(benzenesulfonamido)-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
CID 25405382
2-(2,4-dimethoxyanilino)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,3-thiazole-4-carboxamide
CID 16955167

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide (CID 25405569) is N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide is COc1ccc(S(=O)(=O)Nc2nc(C(=O)Nc3ccc(C)c(C)c3)cs2)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide?
The InChIKey is HETSEQCPPBUGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-12-4-5-14(10-13(12)2)20-18(23)17-11-27-19(21-17)22-28(24,25)16-8-6-15(26-3)7-9-16/h4-11H,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide?
N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25405569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).