3-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]propanamide

C18H21NO2S — CID 34317979

IUPAC3-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]propanamide
SMILESCOc1ccc(SCCC(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C18H21NO2S/c1-14(15-6-4-3-5-7-15)19-18(20)12-13-22-17-10-8-16(21-2)9-11-17/h3-11,14H,12-13H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyJFVIKBJOMKUBMN-AWEZNQCLSA-N
MW315.44 g/mol
LogP4.05
Rot. Bonds7

About 3-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]propanamide

3-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 34317979) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]propanamide
PubChem CID34317979
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name3-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]propanamide
SMILESCOc1ccc(SCCC(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C18H21NO2S/c1-14(15-6-4-3-5-7-15)19-18(20)12-13-22-17-10-8-16(21-2)9-11-17/h3-11,14H,12-13H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyJFVIKBJOMKUBMN-AWEZNQCLSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)sulfanyl-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]propanamide
CID 55729504
N-benzhydryl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41486489
3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-2-methyl-3-phenylpropanoic acid
CID 119218767
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylsulfanylpropanamide
CID 92675238
3-(3,4-dimethylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide
CID 8573456
2-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 836085
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylpropanamide
CID 28572588
N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41325047
3-(4-methoxyphenyl)sulfanyl-N-[3-(1-phenylethoxy)propyl]propanamide
CID 55536116
[2-oxo-2-(1-phenylethylamino)ethyl] 3-phenylsulfanylpropanoate
CID 16531163
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92680171
3-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide
CID 26618385

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]propanamide (CID 34317979) is 3-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]propanamide is COc1ccc(SCCC(=O)N[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is JFVIKBJOMKUBMN-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-14(15-6-4-3-5-7-15)19-18(20)12-13-22-17-10-8-16(21-2)9-11-17/h3-11,14H,12-13H2,1-2H3,(H,19,20)/t14-/m0/s1.
What are the key properties of 3-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]propanamide?
3-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 315.44 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 34317979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).