2-(benzenesulfonamido)-N-(2-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

C19H19N3O3S2 — CID 16944395

IUPAC2-(benzenesulfonamido)-N-(2-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1sc(NS(=O)(=O)c2ccccc2)nc1C
InChIInChI=1S/C19H19N3O3S2/c1-3-14-9-7-8-12-16(14)21-18(23)17-13(2)20-19(26-17)22-27(24,25)15-10-5-4-6-11-15/h4-12H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyPSOMDAGZULOZSO-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.07
Rot. Bonds6

About 2-(benzenesulfonamido)-N-(2-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

2-(benzenesulfonamido)-N-(2-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 16944395) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-(2-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-(2-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID16944395
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC Name2-(benzenesulfonamido)-N-(2-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1sc(NS(=O)(=O)c2ccccc2)nc1C
InChIInChI=1S/C19H19N3O3S2/c1-3-14-9-7-8-12-16(14)21-18(23)17-13(2)20-19(26-17)22-27(24,25)15-10-5-4-6-11-15/h4-12H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyPSOMDAGZULOZSO-UHFFFAOYSA-N
XLogP4.07
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20983476
2-(benzenesulfonamido)-N-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16828747
2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 16944556
N-(2-ethylphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142209
2-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16944431
2-(2-ethylanilino)-N-(3-fluoro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152829
2-(benzenesulfonamido)-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 16944408
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(benzenesulfonamido)benzamide
CID 7541869
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944961
2-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16945138
N-[5-(benzenesulfonamidocarbamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide
CID 24939194
2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 16944943

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-(2-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(benzenesulfonamido)-N-(2-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 16944395) is 2-(benzenesulfonamido)-N-(2-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-(2-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-(2-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is CCc1ccccc1NC(=O)c1sc(NS(=O)(=O)c2ccccc2)nc1C.
What is the InChIKey of 2-(benzenesulfonamido)-N-(2-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is PSOMDAGZULOZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c1-3-14-9-7-8-12-16(14)21-18(23)17-13(2)20-19(26-17)22-27(24,25)15-10-5-4-6-11-15/h4-12H,3H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-(benzenesulfonamido)-N-(2-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(benzenesulfonamido)-N-(2-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-(2-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16944395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).