N-(1-phenylethyl)-2-phenylsulfanylacetamide

C16H17NOS — CID 2889950

IUPACN-(1-phenylethyl)-2-phenylsulfanylacetamide
SMILESCC(NC(=O)CSc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NOS/c1-13(14-8-4-2-5-9-14)17-16(18)12-19-15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,17,18)
InChIKeyIMKDWHSFLXKZTF-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.66
Rot. Bonds5

About N-(1-phenylethyl)-2-phenylsulfanylacetamide

N-(1-phenylethyl)-2-phenylsulfanylacetamide (PubChem CID 2889950) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(1-phenylethyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-2-phenylsulfanylacetamide
PubChem CID2889950
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC NameN-(1-phenylethyl)-2-phenylsulfanylacetamide
SMILESCC(NC(=O)CSc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NOS/c1-13(14-8-4-2-5-9-14)17-16(18)12-19-15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,17,18)
InChIKeyIMKDWHSFLXKZTF-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-phenylethyl)-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-(4-fluorophenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 894218
2-(3-chlorophenyl)sulfanyl-N-(1-phenylethyl)acetamide
CID 2951148
2-phenylsulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 2572446
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylsulfanylacetamide
CID 28954114
N-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide
CID 79031593
N-[(2R)-3-methylbutan-2-yl]-2-phenylsulfanylacetamide
CID 94223671
N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 9482011
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylsulfanylacetamide
CID 51150831
N-[(1R)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2575823
2-(2-methylphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 9330226
2-(2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 9330230
3-[(2-phenylsulfanylacetyl)amino]butanoic acid
CID 43240764

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(1-phenylethyl)-2-phenylsulfanylacetamide (CID 2889950) is N-(1-phenylethyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(1-phenylethyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(1-phenylethyl)-2-phenylsulfanylacetamide is CC(NC(=O)CSc1ccccc1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-2-phenylsulfanylacetamide?
The InChIKey is IMKDWHSFLXKZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-13(14-8-4-2-5-9-14)17-16(18)12-19-15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,17,18).
What are the key properties of N-(1-phenylethyl)-2-phenylsulfanylacetamide?
N-(1-phenylethyl)-2-phenylsulfanylacetamide has a molecular weight of 271.38 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 2889950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).