(2R)-N-(3-acetamidophenyl)-2-benzylsulfanylpropanamide

C18H20N2O2S — CID 7389232

IUPAC(2R)-N-(3-acetamidophenyl)-2-benzylsulfanylpropanamide
SMILESCC(=O)Nc1cccc(NC(=O)[C@@H](C)SCc2ccccc2)c1
InChIInChI=1S/C18H20N2O2S/c1-13(23-12-15-7-4-3-5-8-15)18(22)20-17-10-6-9-16(11-17)19-14(2)21/h3-11,13H,12H2,1-2H3,(H,19,21)(H,20,22)/t13-/m1/s1
InChIKeyIDGDXIAFDGWXKI-CYBMUJFWSA-N
MW328.44 g/mol
LogP3.91
Rot. Bonds6

About (2R)-N-(3-acetamidophenyl)-2-benzylsulfanylpropanamide

(2R)-N-(3-acetamidophenyl)-2-benzylsulfanylpropanamide (PubChem CID 7389232) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is (2R)-N-(3-acetamidophenyl)-2-benzylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(3-acetamidophenyl)-2-benzylsulfanylpropanamide
PubChem CID7389232
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name(2R)-N-(3-acetamidophenyl)-2-benzylsulfanylpropanamide
SMILESCC(=O)Nc1cccc(NC(=O)[C@@H](C)SCc2ccccc2)c1
InChIInChI=1S/C18H20N2O2S/c1-13(23-12-15-7-4-3-5-8-15)18(22)20-17-10-6-9-16(11-17)19-14(2)21/h3-11,13H,12H2,1-2H3,(H,19,21)(H,20,22)/t13-/m1/s1
InChIKeyIDGDXIAFDGWXKI-CYBMUJFWSA-N
XLogP3.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-benzylsulfanyl-N-(3-chlorophenyl)propanamide
CID 846629
(2S)-2-benzylsulfanyl-N-(3-bromophenyl)propanamide
CID 1095209
(2R)-2-benzylsulfanyl-N-(3,4-dimethylphenyl)propanamide
CID 2271946
(2S)-2-benzylsulfanyl-N-(4-bromo-3-methylphenyl)propanamide
CID 1257680
(2S)-2-benzylsulfanyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
CID 126135835
2-benzylsulfanyl-N-[3-(piperidin-1-ylmethyl)phenyl]propanamide
CID 55778351
2-benzylsulfanyl-N-(1,3-dioxoisoindol-5-yl)propanamide
CID 17297257
(2R)-2-benzylsulfanyl-N-(1,3-dioxoisoindol-5-yl)propanamide
CID 9349577
2-benzylsulfanyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 133244520
2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methylphenyl)propanamide
CID 18153408
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
(2S)-2-benzylsulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 2647848

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-acetamidophenyl)-2-benzylsulfanylpropanamide?
The IUPAC name of (2R)-N-(3-acetamidophenyl)-2-benzylsulfanylpropanamide (CID 7389232) is (2R)-N-(3-acetamidophenyl)-2-benzylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-(3-acetamidophenyl)-2-benzylsulfanylpropanamide?
The canonical SMILES for (2R)-N-(3-acetamidophenyl)-2-benzylsulfanylpropanamide is CC(=O)Nc1cccc(NC(=O)[C@@H](C)SCc2ccccc2)c1.
What is the InChIKey of (2R)-N-(3-acetamidophenyl)-2-benzylsulfanylpropanamide?
The InChIKey is IDGDXIAFDGWXKI-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-13(23-12-15-7-4-3-5-8-15)18(22)20-17-10-6-9-16(11-17)19-14(2)21/h3-11,13H,12H2,1-2H3,(H,19,21)(H,20,22)/t13-/m1/s1.
What are the key properties of (2R)-N-(3-acetamidophenyl)-2-benzylsulfanylpropanamide?
(2R)-N-(3-acetamidophenyl)-2-benzylsulfanylpropanamide has a molecular weight of 328.44 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-acetamidophenyl)-2-benzylsulfanylpropanamide is sourced from PubChem (CID 7389232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).