N-cyclohexyl-2-[3-(4-methylphenyl)sulfanylpropanoylamino]benzamide

C23H28N2O2S — CID 1293250

IUPACN-cyclohexyl-2-[3-(4-methylphenyl)sulfanylpropanoylamino]benzamide
SMILESCc1ccc(SCCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C23H28N2O2S/c1-17-11-13-19(14-12-17)28-16-15-22(26)25-21-10-6-5-9-20(21)23(27)24-18-7-3-2-4-8-18/h5-6,9-14,18H,2-4,7-8,15-16H2,1H3,(H,24,27)(H,25,26)
InChIKeyXNBJSRUHGYGCNM-UHFFFAOYSA-N
MW396.56 g/mol
LogP5.18
Rot. Bonds7

About N-cyclohexyl-2-[3-(4-methylphenyl)sulfanylpropanoylamino]benzamide

N-cyclohexyl-2-[3-(4-methylphenyl)sulfanylpropanoylamino]benzamide (PubChem CID 1293250) has the molecular formula C23H28N2O2S and a molecular weight of 396.56 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-(4-methylphenyl)sulfanylpropanoylamino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-(4-methylphenyl)sulfanylpropanoylamino]benzamide
PubChem CID1293250
Molecular FormulaC23H28N2O2S
Molecular Weight396.56 g/mol
Exact Mass396.19
IUPAC NameN-cyclohexyl-2-[3-(4-methylphenyl)sulfanylpropanoylamino]benzamide
SMILESCc1ccc(SCCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C23H28N2O2S/c1-17-11-13-19(14-12-17)28-16-15-22(26)25-21-10-6-5-9-20(21)23(27)24-18-7-3-2-4-8-18/h5-6,9-14,18H,2-4,7-8,15-16H2,1H3,(H,24,27)(H,25,26)
InChIKeyXNBJSRUHGYGCNM-UHFFFAOYSA-N
XLogP5.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.56
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-2-[3-(4-methylphenyl)sulfanylpropanoylamino]benzamide 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-[3-(4-methylphenyl)sulfanylpropanoylamino]benzamide?
The IUPAC name of N-cyclohexyl-2-[3-(4-methylphenyl)sulfanylpropanoylamino]benzamide (CID 1293250) is N-cyclohexyl-2-[3-(4-methylphenyl)sulfanylpropanoylamino]benzamide.
What is the SMILES notation for N-cyclohexyl-2-[3-(4-methylphenyl)sulfanylpropanoylamino]benzamide?
The canonical SMILES for N-cyclohexyl-2-[3-(4-methylphenyl)sulfanylpropanoylamino]benzamide is Cc1ccc(SCCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-2-[3-(4-methylphenyl)sulfanylpropanoylamino]benzamide?
The InChIKey is XNBJSRUHGYGCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2S/c1-17-11-13-19(14-12-17)28-16-15-22(26)25-21-10-6-5-9-20(21)23(27)24-18-7-3-2-4-8-18/h5-6,9-14,18H,2-4,7-8,15-16H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-cyclohexyl-2-[3-(4-methylphenyl)sulfanylpropanoylamino]benzamide?
N-cyclohexyl-2-[3-(4-methylphenyl)sulfanylpropanoylamino]benzamide has a molecular weight of 396.56 g/mol, XLogP of 5.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-(4-methylphenyl)sulfanylpropanoylamino]benzamide is sourced from PubChem (CID 1293250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).