N-[(4-benzylsulfanylphenyl)methyl]acetamide

C16H17NOS — CID 3043267

IUPACN-[(4-benzylsulfanylphenyl)methyl]acetamide
SMILESCC(=O)NCc1ccc(SCc2ccccc2)cc1
InChIInChI=1S/C16H17NOS/c1-13(18)17-11-14-7-9-16(10-8-14)19-12-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyDNHNEOLFEHLTEE-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.62
Rot. Bonds5

About N-[(4-benzylsulfanylphenyl)methyl]acetamide

N-[(4-benzylsulfanylphenyl)methyl]acetamide (PubChem CID 3043267) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[(4-benzylsulfanylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-benzylsulfanylphenyl)methyl]acetamide
PubChem CID3043267
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC NameN-[(4-benzylsulfanylphenyl)methyl]acetamide
SMILESCC(=O)NCc1ccc(SCc2ccccc2)cc1
InChIInChI=1S/C16H17NOS/c1-13(18)17-11-14-7-9-16(10-8-14)19-12-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyDNHNEOLFEHLTEE-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-benzylsulfanylphenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylsulfanylphenyl)methyl]acetamide?
The IUPAC name of N-[(4-benzylsulfanylphenyl)methyl]acetamide (CID 3043267) is N-[(4-benzylsulfanylphenyl)methyl]acetamide.
What is the SMILES notation for N-[(4-benzylsulfanylphenyl)methyl]acetamide?
The canonical SMILES for N-[(4-benzylsulfanylphenyl)methyl]acetamide is CC(=O)NCc1ccc(SCc2ccccc2)cc1.
What is the InChIKey of N-[(4-benzylsulfanylphenyl)methyl]acetamide?
The InChIKey is DNHNEOLFEHLTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-13(18)17-11-14-7-9-16(10-8-14)19-12-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,17,18).
What are the key properties of N-[(4-benzylsulfanylphenyl)methyl]acetamide?
N-[(4-benzylsulfanylphenyl)methyl]acetamide has a molecular weight of 271.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzylsulfanylphenyl)methyl]acetamide is sourced from PubChem (CID 3043267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).