N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide

C17H19NO2S — CID 41325047

IUPACN-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SCCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C17H19NO2S/c1-20-15-7-9-16(10-8-15)21-12-11-17(19)18-13-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,18,19)
InChIKeyAZHSJEUWTZROQA-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.49
Rot. Bonds7

About N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide

N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 41325047) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID41325047
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SCCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C17H19NO2S/c1-20-15-7-9-16(10-8-15)21-12-11-17(19)18-13-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,18,19)
InChIKeyAZHSJEUWTZROQA-UHFFFAOYSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320624
N-benzyl-3-(4-methoxyphenoxy)propanamide
CID 974838
3-(2-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 2712554
N-benzhydryl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41486489
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 39983244
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
3-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 24584153
N-[(4-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26365331
3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-2-methyl-2-phenylpropanoic acid
CID 120700815
3-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]propanamide
CID 34317979
N-(2-hydroxypropyl)-3-(4-methoxyphenyl)sulfanylpropanamide
CID 78828527
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide (CID 41325047) is N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide is COc1ccc(SCCC(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is AZHSJEUWTZROQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-20-15-7-9-16(10-8-15)21-12-11-17(19)18-13-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,18,19).
What are the key properties of N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide?
N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 301.41 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 41325047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).