N-(4-hydroxypentyl)-4-phenylsulfanylbutanamide

C15H23NO2S — CID 107300336

IUPACN-(4-hydroxypentyl)-4-phenylsulfanylbutanamide
SMILESCC(O)CCCNC(=O)CCCSc1ccccc1
InChIInChI=1S/C15H23NO2S/c1-13(17)7-5-11-16-15(18)10-6-12-19-14-8-3-2-4-9-14/h2-4,8-9,13,17H,5-7,10-12H2,1H3,(H,16,18)
InChIKeyCUIXBDBMNUTJRW-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.84
Rot. Bonds9

About N-(4-hydroxypentyl)-4-phenylsulfanylbutanamide

N-(4-hydroxypentyl)-4-phenylsulfanylbutanamide (PubChem CID 107300336) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-(4-hydroxypentyl)-4-phenylsulfanylbutanamide.

Molecular Properties

Compound NameN-(4-hydroxypentyl)-4-phenylsulfanylbutanamide
PubChem CID107300336
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-(4-hydroxypentyl)-4-phenylsulfanylbutanamide
SMILESCC(O)CCCNC(=O)CCCSc1ccccc1
InChIInChI=1S/C15H23NO2S/c1-13(17)7-5-11-16-15(18)10-6-12-19-14-8-3-2-4-9-14/h2-4,8-9,13,17H,5-7,10-12H2,1H3,(H,16,18)
InChIKeyCUIXBDBMNUTJRW-UHFFFAOYSA-N
XLogP2.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.84
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

N-(6-hydroxyhexyl)-4-phenylsulfanylbutanamide
CID 103919353
N-[(E)-pent-3-enyl]-4-phenylsulfanylbutanamide
CID 115628160
N-(3-hydroxy-2-methylpropyl)-4-phenylsulfanylbutanamide
CID 65036802
N-(2-phenylsulfanylethyl)-4-(propan-2-ylamino)butanamide
CID 54881093
3-(3,4-dimethylphenyl)sulfanyl-N-(4-hydroxypentyl)propanamide
CID 107300545
2-(4-phenylsulfanylbutanoylamino)acetic acid
CID 43239031
N-(2-ethylbutyl)-4-phenylsulfanylbutanamide
CID 115612600
4-(3-phenylsulfanylpropanoylamino)butanoic acid
CID 43239197
N-(3-aminobutyl)-4-(4-bromophenyl)sulfanylbutanamide
CID 119496503
N-(3-methoxypropyl)-3-phenylsulfanylpropanamide
CID 3138314
5-(4-hydroxypentylamino)-5-oxopentanoic acid
CID 106120356
N-[4-(3-hydroxybutylamino)-4-oxobutyl]benzamide
CID 111433432

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentyl)-4-phenylsulfanylbutanamide?
The IUPAC name of N-(4-hydroxypentyl)-4-phenylsulfanylbutanamide (CID 107300336) is N-(4-hydroxypentyl)-4-phenylsulfanylbutanamide.
What is the SMILES notation for N-(4-hydroxypentyl)-4-phenylsulfanylbutanamide?
The canonical SMILES for N-(4-hydroxypentyl)-4-phenylsulfanylbutanamide is CC(O)CCCNC(=O)CCCSc1ccccc1.
What is the InChIKey of N-(4-hydroxypentyl)-4-phenylsulfanylbutanamide?
The InChIKey is CUIXBDBMNUTJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-13(17)7-5-11-16-15(18)10-6-12-19-14-8-3-2-4-9-14/h2-4,8-9,13,17H,5-7,10-12H2,1H3,(H,16,18).
What are the key properties of N-(4-hydroxypentyl)-4-phenylsulfanylbutanamide?
N-(4-hydroxypentyl)-4-phenylsulfanylbutanamide has a molecular weight of 281.42 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentyl)-4-phenylsulfanylbutanamide is sourced from PubChem (CID 107300336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).