2-acetamido-N-(2-phenylethyl)-3-phenylsulfanylpropanamide

C19H22N2O2S — CID 4286385

IUPAC2-acetamido-N-(2-phenylethyl)-3-phenylsulfanylpropanamide
SMILESCC(=O)NC(CSc1ccccc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C19H22N2O2S/c1-15(22)21-18(14-24-17-10-6-3-7-11-17)19(23)20-13-12-16-8-4-2-5-9-16/h2-11,18H,12-14H2,1H3,(H,20,23)(H,21,22)
InChIKeyUUIJKBFQCLTPFK-UHFFFAOYSA-N
MW342.46 g/mol
LogP2.64
Rot. Bonds8

About 2-acetamido-N-(2-phenylethyl)-3-phenylsulfanylpropanamide

2-acetamido-N-(2-phenylethyl)-3-phenylsulfanylpropanamide (PubChem CID 4286385) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-acetamido-N-(2-phenylethyl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-(2-phenylethyl)-3-phenylsulfanylpropanamide
PubChem CID4286385
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name2-acetamido-N-(2-phenylethyl)-3-phenylsulfanylpropanamide
SMILESCC(=O)NC(CSc1ccccc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C19H22N2O2S/c1-15(22)21-18(14-24-17-10-6-3-7-11-17)19(23)20-13-12-16-8-4-2-5-9-16/h2-11,18H,12-14H2,1H3,(H,20,23)(H,21,22)
InChIKeyUUIJKBFQCLTPFK-UHFFFAOYSA-N
XLogP2.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-N-(2-amino-2-oxoethyl)-3-phenylsulfanylpropanamide
CID 3507382
2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide
CID 3441415
methyl (2R)-2-acetamido-3-phenylsulfanylpropanoate
CID 2723737
(2S)-2-acetamido-N-(2-phenylethyl)propanamide
CID 51647688
2-acetamido-N-heptyl-3-(4-phenylmethoxyphenyl)sulfanylpropanamide
CID 4029386
2-acetamido-N-benzyl-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 4544086
(2S)-2-acetamido-N-[2-(4-tert-butylphenyl)ethyl]-3-phenylpropanamide
CID 167860964
2-acetamido-3-[benzyl(hydroxy)amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide
CID 11303245
2-acetamido-3-(3-bromophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide
CID 3972925
2-acetamido-3-(3-bromophenyl)sulfanyl-N-propylpropanamide
CID 4562126
(2S)-2-hydroxy-2-phenyl-N-(2-phenylethyl)acetamide
CID 26793852
(2R)-2-acetamido-N-benzyl-3-(benzyldisulfanyl)propanamide
CID 102043629

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(2-phenylethyl)-3-phenylsulfanylpropanamide?
The IUPAC name of 2-acetamido-N-(2-phenylethyl)-3-phenylsulfanylpropanamide (CID 4286385) is 2-acetamido-N-(2-phenylethyl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-(2-phenylethyl)-3-phenylsulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-(2-phenylethyl)-3-phenylsulfanylpropanamide is CC(=O)NC(CSc1ccccc1)C(=O)NCCc1ccccc1.
What is the InChIKey of 2-acetamido-N-(2-phenylethyl)-3-phenylsulfanylpropanamide?
The InChIKey is UUIJKBFQCLTPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-15(22)21-18(14-24-17-10-6-3-7-11-17)19(23)20-13-12-16-8-4-2-5-9-16/h2-11,18H,12-14H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-acetamido-N-(2-phenylethyl)-3-phenylsulfanylpropanamide?
2-acetamido-N-(2-phenylethyl)-3-phenylsulfanylpropanamide has a molecular weight of 342.46 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2-phenylethyl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 4286385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).