N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylsulfanylacetamide

C18H21NO2S — CID 28958195

IUPACN-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylsulfanylacetamide
SMILESCC[C@@H](NC(=O)CSc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C18H21NO2S/c1-3-17(14-9-11-15(21-2)12-10-14)19-18(20)13-22-16-7-5-4-6-8-16/h4-12,17H,3,13H2,1-2H3,(H,19,20)/t17-/m1/s1
InChIKeyFMRJTBJOQLWYCF-QGZVFWFLSA-N
MW315.44 g/mol
LogP4.05
Rot. Bonds7

About N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylsulfanylacetamide

N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylsulfanylacetamide (PubChem CID 28958195) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylsulfanylacetamide
PubChem CID28958195
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylsulfanylacetamide
SMILESCC[C@@H](NC(=O)CSc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C18H21NO2S/c1-3-17(14-9-11-15(21-2)12-10-14)19-18(20)13-22-16-7-5-4-6-8-16/h4-12,17H,3,13H2,1-2H3,(H,19,20)/t17-/m1/s1
InChIKeyFMRJTBJOQLWYCF-QGZVFWFLSA-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

N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 28956181
N-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide
CID 94013315
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
2-(4-methylphenyl)sulfanyl-N-(1-phenylpropyl)acetamide
CID 43905510
2-(4-methoxyphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328005
N-[1-(4-methoxyphenyl)propyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 55371853
N-[1-(4-methoxyphenyl)propyl]-2,2-diphenylacetamide
CID 55371775
2-(4-methoxyphenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 46763951
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenyl)sulfanylacetamide
CID 93486915
N-[1-(4-methoxyphenyl)propyl]-2-phenylbutanamide
CID 43027690
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
2-(4-ethylphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 133184871

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylsulfanylacetamide (CID 28958195) is N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylsulfanylacetamide is CC[C@@H](NC(=O)CSc1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylsulfanylacetamide?
The InChIKey is FMRJTBJOQLWYCF-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-3-17(14-9-11-15(21-2)12-10-14)19-18(20)13-22-16-7-5-4-6-8-16/h4-12,17H,3,13H2,1-2H3,(H,19,20)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylsulfanylacetamide?
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylsulfanylacetamide 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 N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 28958195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).