2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-cyclohexylpropanamide

C24H30N2O2S — CID 132984702

IUPAC2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-cyclohexylpropanamide
SMILESCC(C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CSc1ccccc1
InChIInChI=1S/C24H30N2O2S/c1-19(24(28)25-21-13-7-3-8-14-21)26(17-20-11-5-2-6-12-20)23(27)18-29-22-15-9-4-10-16-22/h2,4-6,9-12,15-16,19,21H,3,7-8,13-14,17-18H2,1H3,(H,25,28)
InChIKeyXJMDWRACSUITLA-UHFFFAOYSA-N
MW410.58 g/mol
LogP4.64
Rot. Bonds8

About 2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-cyclohexylpropanamide

2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-cyclohexylpropanamide (PubChem CID 132984702) has the molecular formula C24H30N2O2S and a molecular weight of 410.58 g/mol. Its IUPAC name is 2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-cyclohexylpropanamide
PubChem CID132984702
Molecular FormulaC24H30N2O2S
Molecular Weight410.58 g/mol
Exact Mass410.20
IUPAC Name2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-cyclohexylpropanamide
SMILESCC(C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CSc1ccccc1
InChIInChI=1S/C24H30N2O2S/c1-19(24(28)25-21-13-7-3-8-14-21)26(17-20-11-5-2-6-12-20)23(27)18-29-22-15-9-4-10-16-22/h2,4-6,9-12,15-16,19,21H,3,7-8,13-14,17-18H2,1H3,(H,25,28)
InChIKeyXJMDWRACSUITLA-UHFFFAOYSA-N
XLogP4.64
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 ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-bromophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-cyclohexylpropanamide
CID 100565715
2-[benzyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-cyclopentylpropanamide
CID 132985536
2-[(3-chlorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-cyclohexylpropanamide
CID 133196589
(2S)-2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-cyclohexylbutanamide
CID 100522229
2-[(4-chlorophenyl)methyl-[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-cyclohexylpropanamide
CID 132616694
2-[(4-chlorophenyl)methyl-[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-cyclopentylpropanamide
CID 132614825
2-[(4-bromophenyl)methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-cyclohexylpropanamide
CID 133175258
(2R)-2-[benzyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-cyclohexylbutanamide
CID 100522257
(2R)-N-cyclohexyl-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide
CID 100516837
(2S)-2-[(4-bromophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-cyclohexyl-3-phenylpropanamide
CID 100633162
(2R)-2-[(4-bromophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]-N-cyclohexylpropanamide
CID 100565947
2-[[2-(4-chlorophenyl)sulfanylacetyl]-[(3-methylphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132613993

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-cyclohexylpropanamide?
The IUPAC name of 2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-cyclohexylpropanamide (CID 132984702) is 2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-cyclohexylpropanamide.
What is the SMILES notation for 2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-cyclohexylpropanamide?
The canonical SMILES for 2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-cyclohexylpropanamide is CC(C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CSc1ccccc1.
What is the InChIKey of 2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-cyclohexylpropanamide?
The InChIKey is XJMDWRACSUITLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2S/c1-19(24(28)25-21-13-7-3-8-14-21)26(17-20-11-5-2-6-12-20)23(27)18-29-22-15-9-4-10-16-22/h2,4-6,9-12,15-16,19,21H,3,7-8,13-14,17-18H2,1H3,(H,25,28).
What are the key properties of 2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-cyclohexylpropanamide?
2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-cyclohexylpropanamide has a molecular weight of 410.58 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-cyclohexylpropanamide is sourced from PubChem (CID 132984702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).