N-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide

C24H26N4O4S2 — CID 16827165

IUPACN-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)Cc3csc(NS(=O)(=O)c4ccc(C)cc4)n3)CC2)cc1
InChIInChI=1S/C24H26N4O4S2/c1-17-3-9-22(10-4-17)34(31,32)26-24-25-20(16-33-24)15-23(30)28-13-11-27(12-14-28)21-7-5-19(6-8-21)18(2)29/h3-10,16H,11-15H2,1-2H3,(H,25,26)
InChIKeyDZLFCXYVBMRGCK-UHFFFAOYSA-N
MW498.63 g/mol
LogP3.35
Rot. Bonds7

About N-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide

N-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide (PubChem CID 16827165) has the molecular formula C24H26N4O4S2 and a molecular weight of 498.63 g/mol. Its IUPAC name is N-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
PubChem CID16827165
Molecular FormulaC24H26N4O4S2
Molecular Weight498.63 g/mol
Exact Mass498.14
IUPAC NameN-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)Cc3csc(NS(=O)(=O)c4ccc(C)cc4)n3)CC2)cc1
InChIInChI=1S/C24H26N4O4S2/c1-17-3-9-22(10-4-17)34(31,32)26-24-25-20(16-33-24)15-23(30)28-13-11-27(12-14-28)21-7-5-19(6-8-21)18(2)29/h3-10,16H,11-15H2,1-2H3,(H,25,26)
InChIKeyDZLFCXYVBMRGCK-UHFFFAOYSA-N
XLogP3.35
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide 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-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 41160073
1-[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 16827166
N-[5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 16944904
1-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea
CID 41159447
N-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 25405806
methyl 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 43624510
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]ethanone
CID 30941830
N-[2-[[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide
CID 1030065
1-[4-[4-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone
CID 91836525
N-[5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
CID 16944610
N-(cyclohexylmethyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 16827164
1-[4-(3-methylphenyl)piperazin-1-yl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]ethanone
CID 30942475

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide (CID 16827165) is N-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide is CC(=O)c1ccc(N2CCN(C(=O)Cc3csc(NS(=O)(=O)c4ccc(C)cc4)n3)CC2)cc1.
What is the InChIKey of N-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is DZLFCXYVBMRGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S2/c1-17-3-9-22(10-4-17)34(31,32)26-24-25-20(16-33-24)15-23(30)28-13-11-27(12-14-28)21-7-5-19(6-8-21)18(2)29/h3-10,16H,11-15H2,1-2H3,(H,25,26).
What are the key properties of N-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide?
N-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 498.63 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 16827165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).