2-(benzenesulfonamido)-N-(2,3-dimethylphenyl)-1,3-thiazole-4-carboxamide

C18H17N3O3S2 — CID 25405391

IUPAC2-(benzenesulfonamido)-N-(2,3-dimethylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2csc(NS(=O)(=O)c3ccccc3)n2)c1C
InChIInChI=1S/C18H17N3O3S2/c1-12-7-6-10-15(13(12)2)19-17(22)16-11-25-18(20-16)21-26(23,24)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,19,22)(H,20,21)
InChIKeyBSEUZBSUCRLCFR-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.81
Rot. Bonds5

About 2-(benzenesulfonamido)-N-(2,3-dimethylphenyl)-1,3-thiazole-4-carboxamide

2-(benzenesulfonamido)-N-(2,3-dimethylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 25405391) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-(2,3-dimethylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-(2,3-dimethylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID25405391
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC Name2-(benzenesulfonamido)-N-(2,3-dimethylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2csc(NS(=O)(=O)c3ccccc3)n2)c1C
InChIInChI=1S/C18H17N3O3S2/c1-12-7-6-10-15(13(12)2)19-17(22)16-11-25-18(20-16)21-26(23,24)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,19,22)(H,20,21)
InChIKeyBSEUZBSUCRLCFR-UHFFFAOYSA-N
XLogP3.81
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109102
N-(2,3-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506209
2-(benzenesulfonamido)-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
CID 25405382
4-(benzenesulfonamido)-N-(2,3-dimethylphenyl)benzamide
CID 1252770
N-(3,4-dimethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 25405759
N-(2-methoxy-5-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 25405780
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 24648453
N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 25405569
N-(3-fluoro-4-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 25405775
2-benzamido-N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16914979
2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)benzamide
CID 2334087
N-[5-(benzenesulfonamido)-1,3,4-thiadiazol-2-yl]-2-(cyclohexylamino)-1,3-thiazole-4-carboxamide
CID 166394604

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-(2,3-dimethylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(benzenesulfonamido)-N-(2,3-dimethylphenyl)-1,3-thiazole-4-carboxamide (CID 25405391) is 2-(benzenesulfonamido)-N-(2,3-dimethylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-(2,3-dimethylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-(2,3-dimethylphenyl)-1,3-thiazole-4-carboxamide is Cc1cccc(NC(=O)c2csc(NS(=O)(=O)c3ccccc3)n2)c1C.
What is the InChIKey of 2-(benzenesulfonamido)-N-(2,3-dimethylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is BSEUZBSUCRLCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c1-12-7-6-10-15(13(12)2)19-17(22)16-11-25-18(20-16)21-26(23,24)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-(benzenesulfonamido)-N-(2,3-dimethylphenyl)-1,3-thiazole-4-carboxamide?
2-(benzenesulfonamido)-N-(2,3-dimethylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-(2,3-dimethylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25405391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).