N-(2-cyclohexylsulfanylethyl)-2-phenylacetamide

C16H23NOS — CID 2175268

IUPACN-(2-cyclohexylsulfanylethyl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCSC1CCCCC1
InChIInChI=1S/C16H23NOS/c18-16(13-14-7-3-1-4-8-14)17-11-12-19-15-9-5-2-6-10-15/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,17,18)
InChIKeyZTZNNQHCPQKWPC-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.41
Rot. Bonds6

About N-(2-cyclohexylsulfanylethyl)-2-phenylacetamide

N-(2-cyclohexylsulfanylethyl)-2-phenylacetamide (PubChem CID 2175268) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is N-(2-cyclohexylsulfanylethyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-cyclohexylsulfanylethyl)-2-phenylacetamide
PubChem CID2175268
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC NameN-(2-cyclohexylsulfanylethyl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCSC1CCCCC1
InChIInChI=1S/C16H23NOS/c18-16(13-14-7-3-1-4-8-14)17-11-12-19-15-9-5-2-6-10-15/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,17,18)
InChIKeyZTZNNQHCPQKWPC-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-cyclohexylsulfanylethyl)-2-phenylacetamide 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-(2-cyclohexylsulfanylethyl)-2-phenylacetamide?
The IUPAC name of N-(2-cyclohexylsulfanylethyl)-2-phenylacetamide (CID 2175268) is N-(2-cyclohexylsulfanylethyl)-2-phenylacetamide.
What is the SMILES notation for N-(2-cyclohexylsulfanylethyl)-2-phenylacetamide?
The canonical SMILES for N-(2-cyclohexylsulfanylethyl)-2-phenylacetamide is O=C(Cc1ccccc1)NCCSC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylsulfanylethyl)-2-phenylacetamide?
The InChIKey is ZTZNNQHCPQKWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c18-16(13-14-7-3-1-4-8-14)17-11-12-19-15-9-5-2-6-10-15/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,17,18).
What are the key properties of N-(2-cyclohexylsulfanylethyl)-2-phenylacetamide?
N-(2-cyclohexylsulfanylethyl)-2-phenylacetamide has a molecular weight of 277.43 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylsulfanylethyl)-2-phenylacetamide is sourced from PubChem (CID 2175268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).