2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)acetamide

C24H25ClN3OS+ — CID 2124469

IUPAC2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C24H24ClN3OS/c25-19-7-6-8-20(17-19)28-15-13-27(14-16-28)18-24(29)26-22-11-4-5-12-23(22)30-21-9-2-1-3-10-21/h1-12,17H,13-16,18H2,(H,26,29)/p+1
InChIKeyOOGYXBUYDJFBBF-UHFFFAOYSA-O
MW439.00 g/mol
LogP3.83
Rot. Bonds6

About 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)acetamide

2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 2124469) has the molecular formula C24H25ClN3OS+ and a molecular weight of 439.00 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID2124469
Molecular FormulaC24H25ClN3OS+
Molecular Weight439.00 g/mol
Exact Mass438.14
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C24H24ClN3OS/c25-19-7-6-8-20(17-19)28-15-13-27(14-16-28)18-24(29)26-22-11-4-5-12-23(22)30-21-9-2-1-3-10-21/h1-12,17H,13-16,18H2,(H,26,29)/p+1
InChIKeyOOGYXBUYDJFBBF-UHFFFAOYSA-O
XLogP3.83
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.00
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 6958022
N-(2-benzylsulfanylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 9027350
N-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide
CID 6958467
2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 8591327
(Z)-3-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyano-N-(2-phenylsulfanylphenyl)prop-2-enamide
CID 108857237
N-(5-chloro-2-nitrophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 7925966
2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 8529946
2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8529954
N-(2,3-dimethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 2060925
N-(2-phenylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 2653965
N-(2-chloro-4,6-dimethylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide
CID 8529693
N-(4-chloro-2-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8592500

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)acetamide (CID 2124469) is 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)acetamide is O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is OOGYXBUYDJFBBF-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H24ClN3OS/c25-19-7-6-8-20(17-19)28-15-13-27(14-16-28)18-24(29)26-22-11-4-5-12-23(22)30-21-9-2-1-3-10-21/h1-12,17H,13-16,18H2,(H,26,29)/p+1.
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)acetamide?
2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 439.00 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 2124469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).