(2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide

C21H19NOS — CID 1371457

IUPAC(2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide
SMILESO=C(NCc1ccccc1)[C@@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NOS/c23-21(22-16-17-10-4-1-5-11-17)20(18-12-6-2-7-13-18)24-19-14-8-3-9-15-19/h1-15,20H,16H2,(H,22,23)/t20-/m0/s1
InChIKeyKSRSMDNYJFNTHG-FQEVSTJZSA-N
MW333.46 g/mol
LogP4.84
Rot. Bonds6

About (2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide

(2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 1371457) has the molecular formula C21H19NOS and a molecular weight of 333.46 g/mol. Its IUPAC name is (2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide
PubChem CID1371457
Molecular FormulaC21H19NOS
Molecular Weight333.46 g/mol
Exact Mass333.12
IUPAC Name(2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide
SMILESO=C(NCc1ccccc1)[C@@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NOS/c23-21(22-16-17-10-4-1-5-11-17)20(18-12-6-2-7-13-18)24-19-14-8-3-9-15-19/h1-15,20H,16H2,(H,22,23)/t20-/m0/s1
InChIKeyKSRSMDNYJFNTHG-FQEVSTJZSA-N
XLogP4.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-benzyl-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

2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 4230015
2-phenyl-2-phenylsulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 2904729
N-[(3-methoxyphenyl)methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 43001675
(2S)-2-phenyl-2-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 26207800
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 60584976
N-benzyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide
CID 3596364
(2S)-N-(furan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 673492
N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2904025
(2S)-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-phenylsulfanylacetamide
CID 26213367
[2-(benzylamino)-2-oxo-1-phenylethyl] thiocyanate
CID 135051211
(2S)-N-benzyl-2-phenyl-2-(2H-tetrazol-5-ylsulfanyl)acetamide
CID 124506736
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 60545485

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of (2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide (CID 1371457) is (2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for (2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for (2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide is O=C(NCc1ccccc1)[C@@H](Sc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is KSRSMDNYJFNTHG-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H19NOS/c23-21(22-16-17-10-4-1-5-11-17)20(18-12-6-2-7-13-18)24-19-14-8-3-9-15-19/h1-15,20H,16H2,(H,22,23)/t20-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide?
(2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 333.46 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 1371457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).