N-(3-methoxyphenyl)-2-phenylsulfanylbutanamide

C17H19NO2S — CID 23886285

IUPACN-(3-methoxyphenyl)-2-phenylsulfanylbutanamide
SMILESCCC(Sc1ccccc1)C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C17H19NO2S/c1-3-16(21-15-10-5-4-6-11-15)17(19)18-13-8-7-9-14(12-13)20-2/h4-12,16H,3H2,1-2H3,(H,18,19)
InChIKeyOBMVEARDZVLSFZ-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.20
Rot. Bonds6

About N-(3-methoxyphenyl)-2-phenylsulfanylbutanamide

N-(3-methoxyphenyl)-2-phenylsulfanylbutanamide (PubChem CID 23886285) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-phenylsulfanylbutanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-phenylsulfanylbutanamide
PubChem CID23886285
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-(3-methoxyphenyl)-2-phenylsulfanylbutanamide
SMILESCCC(Sc1ccccc1)C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C17H19NO2S/c1-3-16(21-15-10-5-4-6-11-15)17(19)18-13-8-7-9-14(12-13)20-2/h4-12,16H,3H2,1-2H3,(H,18,19)
InChIKeyOBMVEARDZVLSFZ-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylbutanamide
CID 23743067
N-[3-[1-(3-methoxyanilino)-1-oxobutan-2-yl]sulfanylphenyl]-2-methylbenzamide
CID 18906587
4-methoxy-N-[3-[1-oxo-1-(4-phenoxyanilino)butan-2-yl]sulfanylphenyl]benzamide
CID 18903718
2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(3-methoxyphenyl)butanamide
CID 19317300
2-(3-methoxyphenyl)sulfanylbutanehydrazide
CID 63582830
N-[3-[1-(3-chloroanilino)-1-oxobutan-2-yl]sulfanylphenyl]-3-methoxybenzamide
CID 18903385
N-[3-[1-(3-methoxyanilino)-1-oxobutan-2-yl]sulfanylphenyl]-3-nitrobenzamide
CID 18905147
N-(3-methoxyphenyl)-2-phenoxybutanamide
CID 3831473
N-[3-[1-(2-chloroanilino)-1-oxobutan-2-yl]sulfanylphenyl]-3-methoxybenzamide
CID 18903384
2-(3-aminophenyl)sulfanyl-N-(4-methoxyphenyl)butanamide
CID 18894350
N-[(E)-1-(2-ethoxyphenyl)-3-[3-[1-(3-methoxyanilino)-1-oxobutan-2-yl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 19309812
N-(4-phenoxyphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide
CID 18906022

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-phenylsulfanylbutanamide?
The IUPAC name of N-(3-methoxyphenyl)-2-phenylsulfanylbutanamide (CID 23886285) is N-(3-methoxyphenyl)-2-phenylsulfanylbutanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-phenylsulfanylbutanamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-phenylsulfanylbutanamide is CCC(Sc1ccccc1)C(=O)Nc1cccc(OC)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-phenylsulfanylbutanamide?
The InChIKey is OBMVEARDZVLSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-3-16(21-15-10-5-4-6-11-15)17(19)18-13-8-7-9-14(12-13)20-2/h4-12,16H,3H2,1-2H3,(H,18,19).
What are the key properties of N-(3-methoxyphenyl)-2-phenylsulfanylbutanamide?
N-(3-methoxyphenyl)-2-phenylsulfanylbutanamide has a molecular weight of 301.41 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-phenylsulfanylbutanamide is sourced from PubChem (CID 23886285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).