(2S)-2-[2-phenylethyl(3-phenylsulfanylpropanoyl)amino]-N-propylpropanamide

C23H30N2O2S — CID 100530047

IUPAC(2S)-2-[2-phenylethyl(3-phenylsulfanylpropanoyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCSc1ccccc1
InChIInChI=1S/C23H30N2O2S/c1-3-16-24-23(27)19(2)25(17-14-20-10-6-4-7-11-20)22(26)15-18-28-21-12-8-5-9-13-21/h4-13,19H,3,14-18H2,1-2H3,(H,24,27)/t19-/m0/s1
InChIKeyJKIYKSZEWDNTNJ-IBGZPJMESA-N
MW398.57 g/mol
LogP4.15
Rot. Bonds11

About (2S)-2-[2-phenylethyl(3-phenylsulfanylpropanoyl)amino]-N-propylpropanamide

(2S)-2-[2-phenylethyl(3-phenylsulfanylpropanoyl)amino]-N-propylpropanamide (PubChem CID 100530047) has the molecular formula C23H30N2O2S and a molecular weight of 398.57 g/mol. Its IUPAC name is (2S)-2-[2-phenylethyl(3-phenylsulfanylpropanoyl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name(2S)-2-[2-phenylethyl(3-phenylsulfanylpropanoyl)amino]-N-propylpropanamide
PubChem CID100530047
Molecular FormulaC23H30N2O2S
Molecular Weight398.57 g/mol
Exact Mass398.20
IUPAC Name(2S)-2-[2-phenylethyl(3-phenylsulfanylpropanoyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCSc1ccccc1
InChIInChI=1S/C23H30N2O2S/c1-3-16-24-23(27)19(2)25(17-14-20-10-6-4-7-11-20)22(26)15-18-28-21-12-8-5-9-13-21/h4-13,19H,3,14-18H2,1-2H3,(H,24,27)/t19-/m0/s1
InChIKeyJKIYKSZEWDNTNJ-IBGZPJMESA-N
XLogP4.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.57
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]-N-propylbutanamide
CID 100627070
(2R)-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]-N-propylpropanamide
CID 100529840
2-[(3-chlorophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]-N-propylpropanamide
CID 132947683
2-[3-(4-methylphenyl)propanoyl-(2-phenylethyl)amino]-N-propylpropanamide
CID 132657123
2-[(2-methylphenyl)methyl-(3-phenylsulfanylpropanoyl)amino]-N-propylpropanamide
CID 132660980
(2R)-2-[3-(2-chlorophenyl)propanoyl-(2-phenylethyl)amino]-N-propylpropanamide
CID 100535585
N-tert-butyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]propanamide
CID 132710653
(2R)-2-[4-(4-chlorophenyl)sulfanylbutanoyl-(2-phenylethyl)amino]-N-propylbutanamide
CID 100637591
4-(4-methoxyphenoxy)-N-[1-oxo-1-(propylamino)propan-2-yl]-N-(2-phenylethyl)butanamide
CID 132667972
(2R)-2-[benzyl(3-phenylsulfanylpropanoyl)amino]-N-[(2S)-butan-2-yl]propanamide
CID 100516244
(2R)-2-[benzyl(3-phenylsulfanylpropanoyl)amino]-N-[(2R)-butan-2-yl]propanamide
CID 100516233
(2S)-2-[benzyl(3-phenylsulfanylpropanoyl)amino]-N-[(2R)-butan-2-yl]propanamide
CID 100516253

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-phenylethyl(3-phenylsulfanylpropanoyl)amino]-N-propylpropanamide?
The IUPAC name of (2S)-2-[2-phenylethyl(3-phenylsulfanylpropanoyl)amino]-N-propylpropanamide (CID 100530047) is (2S)-2-[2-phenylethyl(3-phenylsulfanylpropanoyl)amino]-N-propylpropanamide.
What is the SMILES notation for (2S)-2-[2-phenylethyl(3-phenylsulfanylpropanoyl)amino]-N-propylpropanamide?
The canonical SMILES for (2S)-2-[2-phenylethyl(3-phenylsulfanylpropanoyl)amino]-N-propylpropanamide is CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCSc1ccccc1.
What is the InChIKey of (2S)-2-[2-phenylethyl(3-phenylsulfanylpropanoyl)amino]-N-propylpropanamide?
The InChIKey is JKIYKSZEWDNTNJ-IBGZPJMESA-N. The full InChI is InChI=1S/C23H30N2O2S/c1-3-16-24-23(27)19(2)25(17-14-20-10-6-4-7-11-20)22(26)15-18-28-21-12-8-5-9-13-21/h4-13,19H,3,14-18H2,1-2H3,(H,24,27)/t19-/m0/s1.
What are the key properties of (2S)-2-[2-phenylethyl(3-phenylsulfanylpropanoyl)amino]-N-propylpropanamide?
(2S)-2-[2-phenylethyl(3-phenylsulfanylpropanoyl)amino]-N-propylpropanamide has a molecular weight of 398.57 g/mol, XLogP of 4.15, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-phenylethyl(3-phenylsulfanylpropanoyl)amino]-N-propylpropanamide is sourced from PubChem (CID 100530047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).