N-(1-phenylethyl)-2-sulfanylbenzamide

C15H15NOS — CID 113218601

IUPACN-(1-phenylethyl)-2-sulfanylbenzamide
SMILESCC(NC(=O)c1ccccc1S)c1ccccc1
InChIInChI=1S/C15H15NOS/c1-11(12-7-3-2-4-8-12)16-15(17)13-9-5-6-10-14(13)18/h2-11,18H,1H3,(H,16,17)
InChIKeyNFFMDJPBYPGOIP-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.47
Rot. Bonds3

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

N-(1-phenylethyl)-2-sulfanylbenzamide (PubChem CID 113218601) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(1-phenylethyl)-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-2-sulfanylbenzamide
PubChem CID113218601
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC NameN-(1-phenylethyl)-2-sulfanylbenzamide
SMILESCC(NC(=O)c1ccccc1S)c1ccccc1
InChIInChI=1S/C15H15NOS/c1-11(12-7-3-2-4-8-12)16-15(17)13-9-5-6-10-14(13)18/h2-11,18H,1H3,(H,16,17)
InChIKeyNFFMDJPBYPGOIP-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-(1-phenylethyl)-2-sulfanylbenzamide 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-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
N-[1-(3-fluorophenyl)ethyl]-2-sulfanylbenzamide
CID 103601942
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
2-[[(1S)-1-phenylethyl]carbamoyl]benzoate
CID 6929624
2-N-(1-phenylethyl)benzene-1,2-dicarboxamide
CID 22396198
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
N-[(1S)-1-phenylethyl]-2-[[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]diselanyl]benzamide
CID 10531743
2-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248479
N-[(1R)-1-phenylethyl]-2-propan-2-ylsulfanylbenzamide
CID 9172998
N-[(1R)-1-phenylethyl]-2-propan-2-yloxybenzamide
CID 92666015
2-amino-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 30117627
N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide
CID 118604265

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2-sulfanylbenzamide?
The IUPAC name of N-(1-phenylethyl)-2-sulfanylbenzamide (CID 113218601) is N-(1-phenylethyl)-2-sulfanylbenzamide.
What is the SMILES notation for N-(1-phenylethyl)-2-sulfanylbenzamide?
The canonical SMILES for N-(1-phenylethyl)-2-sulfanylbenzamide is CC(NC(=O)c1ccccc1S)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-2-sulfanylbenzamide?
The InChIKey is NFFMDJPBYPGOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-11(12-7-3-2-4-8-12)16-15(17)13-9-5-6-10-14(13)18/h2-11,18H,1H3,(H,16,17).
What are the key properties of N-(1-phenylethyl)-2-sulfanylbenzamide?
N-(1-phenylethyl)-2-sulfanylbenzamide has a molecular weight of 257.36 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2-sulfanylbenzamide is sourced from PubChem (CID 113218601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).