(2S)-N-[(3-ethoxyphenyl)methyl]-2-phenylsulfanylpropanamide

C18H21NO2S — CID 92675328

IUPAC(2S)-N-[(3-ethoxyphenyl)methyl]-2-phenylsulfanylpropanamide
SMILESCCOc1cccc(CNC(=O)[C@H](C)Sc2ccccc2)c1
InChIInChI=1S/C18H21NO2S/c1-3-21-16-9-7-8-15(12-16)13-19-18(20)14(2)22-17-10-5-4-6-11-17/h4-12,14H,3,13H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeySLGNYPBFVZSHDF-AWEZNQCLSA-N
MW315.44 g/mol
LogP3.88
Rot. Bonds7

About (2S)-N-[(3-ethoxyphenyl)methyl]-2-phenylsulfanylpropanamide

(2S)-N-[(3-ethoxyphenyl)methyl]-2-phenylsulfanylpropanamide (PubChem CID 92675328) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is (2S)-N-[(3-ethoxyphenyl)methyl]-2-phenylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(3-ethoxyphenyl)methyl]-2-phenylsulfanylpropanamide
PubChem CID92675328
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name(2S)-N-[(3-ethoxyphenyl)methyl]-2-phenylsulfanylpropanamide
SMILESCCOc1cccc(CNC(=O)[C@H](C)Sc2ccccc2)c1
InChIInChI=1S/C18H21NO2S/c1-3-21-16-9-7-8-15(12-16)13-19-18(20)14(2)22-17-10-5-4-6-11-17/h4-12,14H,3,13H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeySLGNYPBFVZSHDF-AWEZNQCLSA-N
XLogP3.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-ethoxyphenyl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496650
(2R)-N-[(3-ethoxyphenyl)methyl]-2-phenoxypropanamide
CID 94184628
3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylpropanamide
CID 62671028
N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 2897100
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 6543556
(2S)-N-benzyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 8907417
(2R)-N-[3-(3-methoxyphenyl)propyl]-2-phenylsulfanylpropanamide
CID 95172605
N-[(3-ethoxyphenyl)methyl]-2-(2-ethylphenoxy)propanamide
CID 46770916
(2R)-N-[2-(3-methylphenoxy)ethyl]-2-phenylsulfanylpropanamide
CID 30369620
(2R)-N-benzyl-2-naphthalen-2-ylsulfanylpropanamide
CID 7793117
2-amino-N-[(3-ethoxyphenyl)methyl]pentanamide
CID 60872985
N-[(3-ethoxyphenyl)methyl]-3,3-diphenylpropanamide
CID 51606702

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-ethoxyphenyl)methyl]-2-phenylsulfanylpropanamide?
The IUPAC name of (2S)-N-[(3-ethoxyphenyl)methyl]-2-phenylsulfanylpropanamide (CID 92675328) is (2S)-N-[(3-ethoxyphenyl)methyl]-2-phenylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-[(3-ethoxyphenyl)methyl]-2-phenylsulfanylpropanamide?
The canonical SMILES for (2S)-N-[(3-ethoxyphenyl)methyl]-2-phenylsulfanylpropanamide is CCOc1cccc(CNC(=O)[C@H](C)Sc2ccccc2)c1.
What is the InChIKey of (2S)-N-[(3-ethoxyphenyl)methyl]-2-phenylsulfanylpropanamide?
The InChIKey is SLGNYPBFVZSHDF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-3-21-16-9-7-8-15(12-16)13-19-18(20)14(2)22-17-10-5-4-6-11-17/h4-12,14H,3,13H2,1-2H3,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-N-[(3-ethoxyphenyl)methyl]-2-phenylsulfanylpropanamide?
(2S)-N-[(3-ethoxyphenyl)methyl]-2-phenylsulfanylpropanamide has a molecular weight of 315.44 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-ethoxyphenyl)methyl]-2-phenylsulfanylpropanamide is sourced from PubChem (CID 92675328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).