2-[2-phenylethyl-(2-phenylsulfanylacetyl)amino]-N-propan-2-ylpropanamide

C22H28N2O2S — CID 132658025

IUPAC2-[2-phenylethyl-(2-phenylsulfanylacetyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N(CCc1ccccc1)C(=O)CSc1ccccc1
InChIInChI=1S/C22H28N2O2S/c1-17(2)23-22(26)18(3)24(15-14-19-10-6-4-7-11-19)21(25)16-27-20-12-8-5-9-13-20/h4-13,17-18H,14-16H2,1-3H3,(H,23,26)
InChIKeyIOKYBYLYKPHYGJ-UHFFFAOYSA-N
MW384.55 g/mol
LogP3.76
Rot. Bonds9

About 2-[2-phenylethyl-(2-phenylsulfanylacetyl)amino]-N-propan-2-ylpropanamide

2-[2-phenylethyl-(2-phenylsulfanylacetyl)amino]-N-propan-2-ylpropanamide (PubChem CID 132658025) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is 2-[2-phenylethyl-(2-phenylsulfanylacetyl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[2-phenylethyl-(2-phenylsulfanylacetyl)amino]-N-propan-2-ylpropanamide
PubChem CID132658025
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC Name2-[2-phenylethyl-(2-phenylsulfanylacetyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N(CCc1ccccc1)C(=O)CSc1ccccc1
InChIInChI=1S/C22H28N2O2S/c1-17(2)23-22(26)18(3)24(15-14-19-10-6-4-7-11-19)21(25)16-27-20-12-8-5-9-13-20/h4-13,17-18H,14-16H2,1-3H3,(H,23,26)
InChIKeyIOKYBYLYKPHYGJ-UHFFFAOYSA-N
XLogP3.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(4-chlorophenyl)sulfanylacetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 100721086
N-butan-2-yl-2-[[2-(4-chlorophenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide
CID 132712306
(2S)-2-[(2-phenylacetyl)-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 100721031
2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 132664288
(2R)-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]-N-propylpropanamide
CID 100529840
N-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-N-(2-phenylethyl)butanamide
CID 100726790
N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-N-(2-phenylethyl)butanamide
CID 100726781
(2S)-2-[(4-methylphenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-propan-2-ylpropanamide
CID 100663170
(2S)-2-[2-phenylethyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide
CID 100725909
(2R)-N-cyclohexyl-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide
CID 100516837
(2S)-2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-propan-2-ylbutanamide
CID 100727213
(2S)-2-[[2-(2-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 100727038

Frequently Asked Questions

What is the IUPAC name of 2-[2-phenylethyl-(2-phenylsulfanylacetyl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[2-phenylethyl-(2-phenylsulfanylacetyl)amino]-N-propan-2-ylpropanamide (CID 132658025) is 2-[2-phenylethyl-(2-phenylsulfanylacetyl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[2-phenylethyl-(2-phenylsulfanylacetyl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[2-phenylethyl-(2-phenylsulfanylacetyl)amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)N(CCc1ccccc1)C(=O)CSc1ccccc1.
What is the InChIKey of 2-[2-phenylethyl-(2-phenylsulfanylacetyl)amino]-N-propan-2-ylpropanamide?
The InChIKey is IOKYBYLYKPHYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-17(2)23-22(26)18(3)24(15-14-19-10-6-4-7-11-19)21(25)16-27-20-12-8-5-9-13-20/h4-13,17-18H,14-16H2,1-3H3,(H,23,26).
What are the key properties of 2-[2-phenylethyl-(2-phenylsulfanylacetyl)amino]-N-propan-2-ylpropanamide?
2-[2-phenylethyl-(2-phenylsulfanylacetyl)amino]-N-propan-2-ylpropanamide has a molecular weight of 384.55 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-phenylethyl-(2-phenylsulfanylacetyl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 132658025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).