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

C23H30N2O2S — CID 100529840

IUPAC(2R)-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSc1ccc(C)cc1
InChIInChI=1S/C23H30N2O2S/c1-4-15-24-23(27)19(3)25(16-14-20-8-6-5-7-9-20)22(26)17-28-21-12-10-18(2)11-13-21/h5-13,19H,4,14-17H2,1-3H3,(H,24,27)/t19-/m1/s1
InChIKeyKJIXITLNGJCEDC-LJQANCHMSA-N
MW398.57 g/mol
LogP4.07
Rot. Bonds10

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

(2R)-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]-N-propylpropanamide (PubChem CID 100529840) has the molecular formula C23H30N2O2S and a molecular weight of 398.57 g/mol. Its IUPAC name is (2R)-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]-N-propylpropanamide
PubChem CID100529840
Molecular FormulaC23H30N2O2S
Molecular Weight398.57 g/mol
Exact Mass398.20
IUPAC Name(2R)-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSc1ccc(C)cc1
InChIInChI=1S/C23H30N2O2S/c1-4-15-24-23(27)19(3)25(16-14-20-8-6-5-7-9-20)22(26)17-28-21-12-10-18(2)11-13-21/h5-13,19H,4,14-17H2,1-3H3,(H,24,27)/t19-/m1/s1
InChIKeyKJIXITLNGJCEDC-LJQANCHMSA-N
XLogP4.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.57
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-methylphenyl)propanoyl-(2-phenylethyl)amino]-N-propylpropanamide
CID 132657123
(2S)-2-[2-phenylethyl(3-phenylsulfanylpropanoyl)amino]-N-propylpropanamide
CID 100530047
(2R)-N-cyclohexyl-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide
CID 100516837
2-[[2-[(3,5-dimethylphenyl)methylsulfanyl]acetyl]-(2-phenylethyl)amino]-N-propylpropanamide
CID 132668019
N-butyl-2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]-(2-phenylethyl)amino]propanamide
CID 132710628
2-[2-phenylethyl-(2-phenylsulfanylacetyl)amino]-N-propan-2-ylpropanamide
CID 132658025
2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]-(2-phenylethyl)amino]-N-propylpropanamide
CID 132664204
(2S)-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]-N-propylbutanamide
CID 100627070
(2R)-2-[[2-(4-chlorophenyl)sulfanylacetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 100721086
N-butyl-2-[(3-methylphenyl)methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]propanamide
CID 132707675
2-[(4-methylphenyl)methyl-(2-phenylsulfanylacetyl)amino]-3-phenyl-N-propylpropanamide
CID 132614152
N-butan-2-yl-2-[[2-(4-chlorophenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide
CID 132712306

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]-N-propylpropanamide?
The IUPAC name of (2R)-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]-N-propylpropanamide (CID 100529840) is (2R)-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]-N-propylpropanamide.
What is the SMILES notation for (2R)-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]-N-propylpropanamide?
The canonical SMILES for (2R)-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]-N-propylpropanamide is CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSc1ccc(C)cc1.
What is the InChIKey of (2R)-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]-N-propylpropanamide?
The InChIKey is KJIXITLNGJCEDC-LJQANCHMSA-N. The full InChI is InChI=1S/C23H30N2O2S/c1-4-15-24-23(27)19(3)25(16-14-20-8-6-5-7-9-20)22(26)17-28-21-12-10-18(2)11-13-21/h5-13,19H,4,14-17H2,1-3H3,(H,24,27)/t19-/m1/s1.
What are the key properties of (2R)-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]-N-propylpropanamide?
(2R)-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]-N-propylpropanamide has a molecular weight of 398.57 g/mol, XLogP of 4.07, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]-N-propylpropanamide is sourced from PubChem (CID 100529840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).