(2R)-N-cyclohexyl-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide

C26H34N2O2S — CID 100516837

IUPAC(2R)-N-cyclohexyl-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide
SMILESCc1ccc(SCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C26H34N2O2S/c1-20-13-15-24(16-14-20)31-19-25(29)28(18-17-22-9-5-3-6-10-22)21(2)26(30)27-23-11-7-4-8-12-23/h3,5-6,9-10,13-16,21,23H,4,7-8,11-12,17-19H2,1-2H3,(H,27,30)/t21-/m1/s1
InChIKeyXJHXSXWLSQIWSU-OAQYLSRUSA-N
MW438.64 g/mol
LogP5.00
Rot. Bonds9

About (2R)-N-cyclohexyl-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide

(2R)-N-cyclohexyl-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide (PubChem CID 100516837) has the molecular formula C26H34N2O2S and a molecular weight of 438.64 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide
PubChem CID100516837
Molecular FormulaC26H34N2O2S
Molecular Weight438.64 g/mol
Exact Mass438.23
IUPAC Name(2R)-N-cyclohexyl-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide
SMILESCc1ccc(SCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C26H34N2O2S/c1-20-13-15-24(16-14-20)31-19-25(29)28(18-17-22-9-5-3-6-10-22)21(2)26(30)27-23-11-7-4-8-12-23/h3,5-6,9-10,13-16,21,23H,4,7-8,11-12,17-19H2,1-2H3,(H,27,30)/t21-/m1/s1
InChIKeyXJHXSXWLSQIWSU-OAQYLSRUSA-N
XLogP5.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.64
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-cyclohexyl-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide 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-[benzyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-cyclopentylpropanamide
CID 132985536
2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-cyclohexylpropanamide
CID 132984702
(2R)-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]-N-propylpropanamide
CID 100529840
(2R)-N-cyclohexyl-2-[[2-[(3,5-dimethylphenyl)methylsulfanyl]acetyl]-(2-phenylethyl)amino]propanamide
CID 100516935
(2R)-2-[benzyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-cyclohexylbutanamide
CID 100522257
(2R)-N-cyclohexyl-2-[2-phenylethyl(3-phenylpropanoyl)amino]propanamide
CID 100517141
(2R)-N-cyclohexyl-2-[2-phenylethyl(propanoyl)amino]propanamide
CID 100521838
N-cyclohexyl-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]-(2-phenylethyl)amino]propanamide
CID 132613191
N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide
CID 132615250
2-[(3-chlorophenyl)methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-cyclopentylpropanamide
CID 133193986
N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)-N-(2-phenylethyl)butanamide
CID 100520067
2-[(4-bromophenyl)methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-cyclohexylpropanamide
CID 133175258

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide (CID 100516837) is (2R)-N-cyclohexyl-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide is Cc1ccc(SCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of (2R)-N-cyclohexyl-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide?
The InChIKey is XJHXSXWLSQIWSU-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H34N2O2S/c1-20-13-15-24(16-14-20)31-19-25(29)28(18-17-22-9-5-3-6-10-22)21(2)26(30)27-23-11-7-4-8-12-23/h3,5-6,9-10,13-16,21,23H,4,7-8,11-12,17-19H2,1-2H3,(H,27,30)/t21-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide?
(2R)-N-cyclohexyl-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide has a molecular weight of 438.64 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide is sourced from PubChem (CID 100516837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).