N-(3-hydroxyphenyl)-4-phenylsulfanylbutanamide

C16H17NO2S — CID 129189701

IUPACN-(3-hydroxyphenyl)-4-phenylsulfanylbutanamide
SMILESO=C(CCCSc1ccccc1)Nc1cccc(O)c1
InChIInChI=1S/C16H17NO2S/c18-14-7-4-6-13(12-14)17-16(19)10-5-11-20-15-8-2-1-3-9-15/h1-4,6-9,12,18H,5,10-11H2,(H,17,19)
InChIKeyMSKABPPFTFFFHC-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.90
Rot. Bonds6

About N-(3-hydroxyphenyl)-4-phenylsulfanylbutanamide

N-(3-hydroxyphenyl)-4-phenylsulfanylbutanamide (PubChem CID 129189701) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-4-phenylsulfanylbutanamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-4-phenylsulfanylbutanamide
PubChem CID129189701
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-(3-hydroxyphenyl)-4-phenylsulfanylbutanamide
SMILESO=C(CCCSc1ccccc1)Nc1cccc(O)c1
InChIInChI=1S/C16H17NO2S/c18-14-7-4-6-13(12-14)17-16(19)10-5-11-20-15-8-2-1-3-9-15/h1-4,6-9,12,18H,5,10-11H2,(H,17,19)
InChIKeyMSKABPPFTFFFHC-UHFFFAOYSA-N
XLogP3.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)hexanamide
CID 129189699
N-[3-(benzylsulfonylmethyl)phenyl]-4-phenylsulfanylbutanamide
CID 86961330
N-[3-(dimethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide
CID 4780433
N-(3-acetylphenyl)-3-phenylsulfanylpropanamide
CID 1322631
N-(3-hydroxyphenyl)nonadecanamide
CID 19039287
4-(2-aminophenoxy)-N-(3-hydroxyphenyl)butanamide
CID 84553820
4-phenylsulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]butanamide
CID 18272046
N-(3-hydroxyphenyl)hex-5-ynamide
CID 146294114
N'-(2-phenylacetyl)-4-phenylsulfanylbutanehydrazide
CID 4787769
4-phenylsulfanyl-N-(4-sulfamoylphenyl)butanamide
CID 12954886
N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]-4-phenylsulfanylbutanamide
CID 86934519
2-(4-phenylsulfanylbutanoylamino)acetic acid
CID 43239031

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-4-phenylsulfanylbutanamide?
The IUPAC name of N-(3-hydroxyphenyl)-4-phenylsulfanylbutanamide (CID 129189701) is N-(3-hydroxyphenyl)-4-phenylsulfanylbutanamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-4-phenylsulfanylbutanamide?
The canonical SMILES for N-(3-hydroxyphenyl)-4-phenylsulfanylbutanamide is O=C(CCCSc1ccccc1)Nc1cccc(O)c1.
What is the InChIKey of N-(3-hydroxyphenyl)-4-phenylsulfanylbutanamide?
The InChIKey is MSKABPPFTFFFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c18-14-7-4-6-13(12-14)17-16(19)10-5-11-20-15-8-2-1-3-9-15/h1-4,6-9,12,18H,5,10-11H2,(H,17,19).
What are the key properties of N-(3-hydroxyphenyl)-4-phenylsulfanylbutanamide?
N-(3-hydroxyphenyl)-4-phenylsulfanylbutanamide has a molecular weight of 287.38 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-4-phenylsulfanylbutanamide is sourced from PubChem (CID 129189701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).