N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide

C13H14N2O3S2 — CID 709425

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
SMILESCC(=O)c1sc(NS(=O)(=O)c2ccc(C)cc2)nc1C
InChIInChI=1S/C13H14N2O3S2/c1-8-4-6-11(7-5-8)20(17,18)15-13-14-9(2)12(19-13)10(3)16/h4-7H,1-3H3,(H,14,15)
InChIKeyAGUSIXSKWXWLOG-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.76
Rot. Bonds4

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide (PubChem CID 709425) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
PubChem CID709425
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
SMILESCC(=O)c1sc(NS(=O)(=O)c2ccc(C)cc2)nc1C
InChIInChI=1S/C13H14N2O3S2/c1-8-4-6-11(7-5-8)20(17,18)15-13-14-9(2)12(19-13)10(3)16/h4-7H,1-3H3,(H,14,15)
InChIKeyAGUSIXSKWXWLOG-UHFFFAOYSA-N
XLogP2.76
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 16944802
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 16944803
2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20983476
N,N-dibutyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
CID 16944777
N-[5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 16944904
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
CID 16944816
2-[(4-methylphenyl)sulfonylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 101150458
4-methyl-N-[4-methyl-5-[(E)-C-methyl-N-[(4-methyl-5-phenyldiazenyl-1,3-thiazol-2-yl)amino]carbonimidoyl]-1,3-thiazol-2-yl]benzenesulfonamide
CID 177496713
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4,6-trichlorobenzenesulfonamide
CID 11177040
4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 5068079
4-acetyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 167825976
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(benzenesulfonamido)benzamide
CID 7541869

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide (CID 709425) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide is CC(=O)c1sc(NS(=O)(=O)c2ccc(C)cc2)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is AGUSIXSKWXWLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c1-8-4-6-11(7-5-8)20(17,18)15-13-14-9(2)12(19-13)10(3)16/h4-7H,1-3H3,(H,14,15).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 310.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 709425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).