2-[benzyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-cyclopentylpropanamide

C24H30N2O2S — CID 132985536

IUPAC2-[benzyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-cyclopentylpropanamide
SMILESCc1ccc(SCC(=O)N(Cc2ccccc2)C(C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C24H30N2O2S/c1-18-12-14-22(15-13-18)29-17-23(27)26(16-20-8-4-3-5-9-20)19(2)24(28)25-21-10-6-7-11-21/h3-5,8-9,12-15,19,21H,6-7,10-11,16-17H2,1-2H3,(H,25,28)
InChIKeyKJRMANLBRGVBLD-UHFFFAOYSA-N
MW410.58 g/mol
LogP4.56
Rot. Bonds8

About 2-[benzyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-cyclopentylpropanamide

2-[benzyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-cyclopentylpropanamide (PubChem CID 132985536) has the molecular formula C24H30N2O2S and a molecular weight of 410.58 g/mol. Its IUPAC name is 2-[benzyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[benzyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-cyclopentylpropanamide
PubChem CID132985536
Molecular FormulaC24H30N2O2S
Molecular Weight410.58 g/mol
Exact Mass410.20
IUPAC Name2-[benzyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-cyclopentylpropanamide
SMILESCc1ccc(SCC(=O)N(Cc2ccccc2)C(C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C24H30N2O2S/c1-18-12-14-22(15-13-18)29-17-23(27)26(16-20-8-4-3-5-9-20)19(2)24(28)25-21-10-6-7-11-21/h3-5,8-9,12-15,19,21H,6-7,10-11,16-17H2,1-2H3,(H,25,28)
InChIKeyKJRMANLBRGVBLD-UHFFFAOYSA-N
XLogP4.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-cyclohexylpropanamide
CID 132984702
2-[(3-chlorophenyl)methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-cyclopentylpropanamide
CID 133193986
(2R)-2-[benzyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-cyclohexylbutanamide
CID 100522257
2-[(4-bromophenyl)methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-cyclohexylpropanamide
CID 133175258
(2R)-N-cyclohexyl-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide
CID 100516837
(2S)-2-[(4-bromophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-cyclohexylpropanamide
CID 100565715
2-[(4-chlorophenyl)methyl-[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-cyclopentylpropanamide
CID 132614825
N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-3-phenylpropanamide
CID 133248846
(2S)-2-[(4-chlorophenyl)methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 100504259
N-cyclopentyl-2-[(4-methylphenyl)methyl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]propanamide
CID 132611644
2-[(4-chlorophenyl)methyl-[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-cyclohexylpropanamide
CID 132616694
2-[(3-chlorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-cyclohexylpropanamide
CID 133196589

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-cyclopentylpropanamide?
The IUPAC name of 2-[benzyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-cyclopentylpropanamide (CID 132985536) is 2-[benzyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[benzyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-cyclopentylpropanamide?
The canonical SMILES for 2-[benzyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-cyclopentylpropanamide is Cc1ccc(SCC(=O)N(Cc2ccccc2)C(C)C(=O)NC2CCCC2)cc1.
What is the InChIKey of 2-[benzyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-cyclopentylpropanamide?
The InChIKey is KJRMANLBRGVBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2S/c1-18-12-14-22(15-13-18)29-17-23(27)26(16-20-8-4-3-5-9-20)19(2)24(28)25-21-10-6-7-11-21/h3-5,8-9,12-15,19,21H,6-7,10-11,16-17H2,1-2H3,(H,25,28).
What are the key properties of 2-[benzyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-cyclopentylpropanamide?
2-[benzyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-cyclopentylpropanamide has a molecular weight of 410.58 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-cyclopentylpropanamide is sourced from PubChem (CID 132985536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).