N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]-2-phenylsulfanylacetamide

C25H25N3O2S — CID 2956631

IUPACN-[2-(4-phenylpiperazine-1-carbonyl)phenyl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H25N3O2S/c29-24(19-31-21-11-5-2-6-12-21)26-23-14-8-7-13-22(23)25(30)28-17-15-27(16-18-28)20-9-3-1-4-10-20/h1-14H,15-19H2,(H,26,29)
InChIKeyXMKGSKJYLVIZHK-UHFFFAOYSA-N
MW431.56 g/mol
LogP4.38
Rot. Bonds6

About N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]-2-phenylsulfanylacetamide

N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]-2-phenylsulfanylacetamide (PubChem CID 2956631) has the molecular formula C25H25N3O2S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(4-phenylpiperazine-1-carbonyl)phenyl]-2-phenylsulfanylacetamide
PubChem CID2956631
Molecular FormulaC25H25N3O2S
Molecular Weight431.56 g/mol
Exact Mass431.17
IUPAC NameN-[2-(4-phenylpiperazine-1-carbonyl)phenyl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H25N3O2S/c29-24(19-31-21-11-5-2-6-12-21)26-23-14-8-7-13-22(23)25(30)28-17-15-27(16-18-28)20-9-3-1-4-10-20/h1-14H,15-19H2,(H,26,29)
InChIKeyXMKGSKJYLVIZHK-UHFFFAOYSA-N
XLogP4.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylsulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1322793
2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17018898
2-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide
CID 17256771
2-(4-nitrophenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17256670
2-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
CID 4309952
2,2-dimethyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide
CID 4316622
2-(4-methylphenyl)sulfonyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17309535
2-(3,4-dimethoxyphenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 4212754
N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 2988050
(1S,6S)-6-[[2-(4-phenylpiperazine-1-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 981989
(1R,6R)-6-[[2-(4-phenylpiperazine-1-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 981987
2-ethoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
CID 17256713

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]-2-phenylsulfanylacetamide (CID 2956631) is N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]-2-phenylsulfanylacetamide?
The InChIKey is XMKGSKJYLVIZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2S/c29-24(19-31-21-11-5-2-6-12-21)26-23-14-8-7-13-22(23)25(30)28-17-15-27(16-18-28)20-9-3-1-4-10-20/h1-14H,15-19H2,(H,26,29).
What are the key properties of N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]-2-phenylsulfanylacetamide?
N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]-2-phenylsulfanylacetamide has a molecular weight of 431.56 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 2956631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).