N-cyclohexyl-2-phenylsulfanylpropanamide

C15H21NOS — CID 2889127

IUPACN-cyclohexyl-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)NC1CCCCC1
InChIInChI=1S/C15H21NOS/c1-12(18-14-10-6-3-7-11-14)15(17)16-13-8-4-2-5-9-13/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,16,17)
InChIKeyXPKSWDHOJFBZPN-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.62
Rot. Bonds4

About N-cyclohexyl-2-phenylsulfanylpropanamide

N-cyclohexyl-2-phenylsulfanylpropanamide (PubChem CID 2889127) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is N-cyclohexyl-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-phenylsulfanylpropanamide
PubChem CID2889127
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC NameN-cyclohexyl-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)NC1CCCCC1
InChIInChI=1S/C15H21NOS/c1-12(18-14-10-6-3-7-11-14)15(17)16-13-8-4-2-5-9-13/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,16,17)
InChIKeyXPKSWDHOJFBZPN-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclohexyl-2-phenylsulfanylpropanamide 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-cyclohexyl-2-phenylsulfanylpropanamide?
The IUPAC name of N-cyclohexyl-2-phenylsulfanylpropanamide (CID 2889127) is N-cyclohexyl-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-cyclohexyl-2-phenylsulfanylpropanamide?
The canonical SMILES for N-cyclohexyl-2-phenylsulfanylpropanamide is CC(Sc1ccccc1)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-phenylsulfanylpropanamide?
The InChIKey is XPKSWDHOJFBZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-12(18-14-10-6-3-7-11-14)15(17)16-13-8-4-2-5-9-13/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,16,17).
What are the key properties of N-cyclohexyl-2-phenylsulfanylpropanamide?
N-cyclohexyl-2-phenylsulfanylpropanamide has a molecular weight of 263.41 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-phenylsulfanylpropanamide is sourced from PubChem (CID 2889127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).