2-(4-chlorophenyl)sulfanyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide

C26H26ClN3O2S — CID 979489

IUPAC2-(4-chlorophenyl)sulfanyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide
SMILESCc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C26H26ClN3O2S/c1-19-4-2-3-5-24(19)26(32)30-16-14-29(15-17-30)22-10-8-21(9-11-22)28-25(31)18-33-23-12-6-20(27)7-13-23/h2-13H,14-18H2,1H3,(H,28,31)
InChIKeyHWLGXOFSMYQGBA-UHFFFAOYSA-N
MW480.03 g/mol
LogP5.34
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide

2-(4-chlorophenyl)sulfanyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide (PubChem CID 979489) has the molecular formula C26H26ClN3O2S and a molecular weight of 480.03 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide
PubChem CID979489
Molecular FormulaC26H26ClN3O2S
Molecular Weight480.03 g/mol
Exact Mass479.14
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide
SMILESCc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C26H26ClN3O2S/c1-19-4-2-3-5-24(19)26(32)30-16-14-29(15-17-30)22-10-8-21(9-11-22)28-25(31)18-33-23-12-6-20(27)7-13-23/h2-13H,14-18H2,1H3,(H,28,31)
InChIKeyHWLGXOFSMYQGBA-UHFFFAOYSA-N
XLogP5.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.03
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-(4-chlorophenyl)sulfanyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]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

N-[4-(2-chlorophenyl)sulfanylphenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 47080184
N-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155521711
N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]thiophene-2-carboxamide
CID 979496
N-tert-butyl-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]benzamide
CID 2192292
3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide
CID 2194290
1-(3-Chlorophenyl)-4-[2-(methylthio)benzoyl]piperazine
CID 2232058
2-chloro-5-methylsulfanyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 2460714
N-{4-[4-(4-chlorobenzoyl)-1-piperazinyl]phenyl}-2-[(4-chlorophenyl)thio]acetamide
CID 2963777
4-benzyl-N-[2-(4-chlorophenyl)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
CID 4086767
N-[2-(4-Chlorophenyl)ethyl]-4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
CID 4166041
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide
CID 25161802
(3R)-N-(4-chlorophenyl)-2-(3-phenylsulfanylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 44400740

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide (CID 979489) is 2-(4-chlorophenyl)sulfanyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide is Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide?
The InChIKey is HWLGXOFSMYQGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O2S/c1-19-4-2-3-5-24(19)26(32)30-16-14-29(15-17-30)22-10-8-21(9-11-22)28-25(31)18-33-23-12-6-20(27)7-13-23/h2-13H,14-18H2,1H3,(H,28,31).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide has a molecular weight of 480.03 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide is sourced from PubChem (CID 979489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).