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

C19H17N3O4S2 — CID 7541869

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(benzenesulfonamido)benzamide
SMILESCC(=O)c1sc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)nc1C
InChIInChI=1S/C19H17N3O4S2/c1-12-17(13(2)23)27-19(20-12)21-18(24)15-10-6-7-11-16(15)22-28(25,26)14-8-4-3-5-9-14/h3-11,22H,1-2H3,(H,20,21,24)
InChIKeyNKQGSMBOKXKXHZ-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.71
Rot. Bonds6

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

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(benzenesulfonamido)benzamide (PubChem CID 7541869) has the molecular formula C19H17N3O4S2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(benzenesulfonamido)benzamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(benzenesulfonamido)benzamide
PubChem CID7541869
Molecular FormulaC19H17N3O4S2
Molecular Weight415.50 g/mol
Exact Mass415.07
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(benzenesulfonamido)benzamide
SMILESCC(=O)c1sc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)nc1C
InChIInChI=1S/C19H17N3O4S2/c1-12-17(13(2)23)27-19(20-12)21-18(24)15-10-6-7-11-16(15)22-28(25,26)14-8-4-3-5-9-14/h3-11,22H,1-2H3,(H,20,21,24)
InChIKeyNKQGSMBOKXKXHZ-UHFFFAOYSA-N
XLogP3.71
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(benzenesulfonamido)benzamide 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-[5-(benzenesulfonamidocarbamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide
CID 24939194
2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20983476
ethyl 4-methyl-2-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 2334051
2-(benzenesulfonamido)-N-(2-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16944395
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
CID 709425
2-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 45006642
ethyl 2-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 121041079
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108804234
N-benzo[e][1,3]benzothiazol-2-yl-2-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121041301
methyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3601092
2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126414109
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121041455

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(benzenesulfonamido)benzamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(benzenesulfonamido)benzamide (CID 7541869) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(benzenesulfonamido)benzamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(benzenesulfonamido)benzamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(benzenesulfonamido)benzamide is CC(=O)c1sc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(benzenesulfonamido)benzamide?
The InChIKey is NKQGSMBOKXKXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S2/c1-12-17(13(2)23)27-19(20-12)21-18(24)15-10-6-7-11-16(15)22-28(25,26)14-8-4-3-5-9-14/h3-11,22H,1-2H3,(H,20,21,24).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(benzenesulfonamido)benzamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(benzenesulfonamido)benzamide has a molecular weight of 415.50 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(benzenesulfonamido)benzamide is sourced from PubChem (CID 7541869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).