2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide

C20H22ClN3O2S — CID 4043438

IUPAC2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H22ClN3O2S/c1-15(25)24-12-10-23(11-13-24)14-20(26)22-18-4-2-3-5-19(18)27-17-8-6-16(21)7-9-17/h2-9H,10-14H2,1H3,(H,22,26)
InChIKeyKMPKZOMYSSOKFI-UHFFFAOYSA-N
MW403.94 g/mol
LogP3.59
Rot. Bonds5

About 2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide

2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide (PubChem CID 4043438) has the molecular formula C20H22ClN3O2S and a molecular weight of 403.94 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
PubChem CID4043438
Molecular FormulaC20H22ClN3O2S
Molecular Weight403.94 g/mol
Exact Mass403.11
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H22ClN3O2S/c1-15(25)24-12-10-23(11-13-24)14-20(26)22-18-4-2-3-5-19(18)27-17-8-6-16(21)7-9-17/h2-9H,10-14H2,1H3,(H,22,26)
InChIKeyKMPKZOMYSSOKFI-UHFFFAOYSA-N
XLogP3.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.94
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide 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

Chloracizine
CID 13113
methyl N-[3-(2-chlorophenothiazin-10-yl)propyl]carbamate
CID 478593
2-[[2-(4-acetamidophenyl)sulfanylacetyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 2482106
Cambridge id 5216190
CID 2834218
4-(2-chloro-10H-phenothiazin-10-yl)-4-oxobutan-1-amine
CID 2900517
1-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 44271377
{4-[2-(4-Chloro-phenylsulfanyl)-phenyl]-2,5-dimethyl-piperazin-1-yl}-acetic acid
CID 44393005
2-Chloro-10-(3-(diethylamino)propionyl)-10H-phenothiazinium chloride
CID 160559
N-(3-(2-Chloro-10H-phenothiazin-10-yl)propyl)acetamide
CID 478592
5-Chloro-3-(2-oxo-2-(1-piperazinyl)ethyl)-2(3H)-benzothiazolone
CID 169502
2-[Cyclohexyl(methyl)amino]-N-[2-(phenylsulfanyl)phenyl]acetamide
CID 4965445
1-(2-chloro-10H-phenothiazin-10-yl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 661699

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide (CID 4043438) is 2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide is CC(=O)N1CCN(CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide?
The InChIKey is KMPKZOMYSSOKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2S/c1-15(25)24-12-10-23(11-13-24)14-20(26)22-18-4-2-3-5-19(18)27-17-8-6-16(21)7-9-17/h2-9H,10-14H2,1H3,(H,22,26).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide?
2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide has a molecular weight of 403.94 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide is sourced from PubChem (CID 4043438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).