(2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenyl-2-phenylsulfanylacetamide

C25H27N3OS — CID 30857945

IUPAC(2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCN1CCN(c2ccc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)cc2)CC1
InChIInChI=1S/C25H27N3OS/c1-27-16-18-28(19-17-27)22-14-12-21(13-15-22)26-25(29)24(20-8-4-2-5-9-20)30-23-10-6-3-7-11-23/h2-15,24H,16-19H2,1H3,(H,26,29)/t24-/m0/s1
InChIKeyXSVJPGFYYXUKMC-DEOSSOPVSA-N
MW417.58 g/mol
LogP4.91
Rot. Bonds6

About (2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenyl-2-phenylsulfanylacetamide

(2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 30857945) has the molecular formula C25H27N3OS and a molecular weight of 417.58 g/mol. Its IUPAC name is (2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound Name(2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenyl-2-phenylsulfanylacetamide
PubChem CID30857945
Molecular FormulaC25H27N3OS
Molecular Weight417.58 g/mol
Exact Mass417.19
IUPAC Name(2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCN1CCN(c2ccc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)cc2)CC1
InChIInChI=1S/C25H27N3OS/c1-27-16-18-28(19-17-27)22-14-12-21(13-15-22)26-25(29)24(20-8-4-2-5-9-20)30-23-10-6-3-7-11-23/h2-15,24H,16-19H2,1H3,(H,26,29)/t24-/m0/s1
InChIKeyXSVJPGFYYXUKMC-DEOSSOPVSA-N
XLogP4.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.58
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenyl-2-phenylsulfanylacetamide 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

(2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide
CID 25396956
(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898
(2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide
CID 39911400
2-phenyl-2-phenylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2928700
N-(1-methylpiperidin-4-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 78810005
(2R)-N-(4-morpholin-4-ylphenyl)-2-phenylsulfanylpropanamide
CID 2079704
(2S)-2-benzylsulfanyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 52646335
(2R)-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylsulfanylpropanamide
CID 42297885
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)-2-phenylacetamide
CID 7998096
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide
CID 2932332
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-phenyl-2-phenylsulfanylacetamide
CID 134062896

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of (2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenyl-2-phenylsulfanylacetamide (CID 30857945) is (2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for (2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for (2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenyl-2-phenylsulfanylacetamide is CN1CCN(c2ccc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)cc2)CC1.
What is the InChIKey of (2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is XSVJPGFYYXUKMC-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H27N3OS/c1-27-16-18-28(19-17-27)22-14-12-21(13-15-22)26-25(29)24(20-8-4-2-5-9-20)30-23-10-6-3-7-11-23/h2-15,24H,16-19H2,1H3,(H,26,29)/t24-/m0/s1.
What are the key properties of (2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenyl-2-phenylsulfanylacetamide?
(2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 417.58 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 30857945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).