3-hydroxy-N-(5-methylsulfanylpentyl)benzamide

C13H19NO2S — CID 104927044

IUPAC3-hydroxy-N-(5-methylsulfanylpentyl)benzamide
SMILESCSCCCCCNC(=O)c1cccc(O)c1
InChIInChI=1S/C13H19NO2S/c1-17-9-4-2-3-8-14-13(16)11-6-5-7-12(15)10-11/h5-7,10,15H,2-4,8-9H2,1H3,(H,14,16)
InChIKeyGPHHJTJXOCSYLY-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.66
Rot. Bonds7

About 3-hydroxy-N-(5-methylsulfanylpentyl)benzamide

3-hydroxy-N-(5-methylsulfanylpentyl)benzamide (PubChem CID 104927044) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 3-hydroxy-N-(5-methylsulfanylpentyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-N-(5-methylsulfanylpentyl)benzamide
PubChem CID104927044
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name3-hydroxy-N-(5-methylsulfanylpentyl)benzamide
SMILESCSCCCCCNC(=O)c1cccc(O)c1
InChIInChI=1S/C13H19NO2S/c1-17-9-4-2-3-8-14-13(16)11-6-5-7-12(15)10-11/h5-7,10,15H,2-4,8-9H2,1H3,(H,14,16)
InChIKeyGPHHJTJXOCSYLY-UHFFFAOYSA-N
XLogP2.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.66
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

3-hydroxy-N-octylbenzamide
CID 115568584
3,4-dihydroxy-N-(4-methylsulfanylbutyl)benzamide
CID 103957170
4-fluoro-3-methyl-N-(6-methylsulfanylhexyl)benzamide
CID 113412198
4-iodo-N-(5-methylsulfanylpentyl)benzamide
CID 104920149
N-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765617
3-(N'-hydroxycarbamimidoyl)-N-(3-methylsulfanylpropyl)benzamide
CID 76996492
2-hydroxy-N-[3-[(3-hydroxybenzoyl)amino]propyl]benzamide
CID 51105782
N-(2-bromoethyl)-3-hydroxybenzamide
CID 114307478
4-fluoro-3-methyl-N-(4-methylsulfanylbutyl)benzamide
CID 115635798
N-ethyl-3-hydroxybenzamide
CID 13175248
8-[(3-hydroxybenzoyl)amino]octanoic acid;2-methylbutan-2-amine
CID 175439236
2-[(3-hydroxybenzoyl)amino]ethanesulfonic acid
CID 155758744

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(5-methylsulfanylpentyl)benzamide?
The IUPAC name of 3-hydroxy-N-(5-methylsulfanylpentyl)benzamide (CID 104927044) is 3-hydroxy-N-(5-methylsulfanylpentyl)benzamide.
What is the SMILES notation for 3-hydroxy-N-(5-methylsulfanylpentyl)benzamide?
The canonical SMILES for 3-hydroxy-N-(5-methylsulfanylpentyl)benzamide is CSCCCCCNC(=O)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-(5-methylsulfanylpentyl)benzamide?
The InChIKey is GPHHJTJXOCSYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-17-9-4-2-3-8-14-13(16)11-6-5-7-12(15)10-11/h5-7,10,15H,2-4,8-9H2,1H3,(H,14,16).
What are the key properties of 3-hydroxy-N-(5-methylsulfanylpentyl)benzamide?
3-hydroxy-N-(5-methylsulfanylpentyl)benzamide has a molecular weight of 253.37 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(5-methylsulfanylpentyl)benzamide is sourced from PubChem (CID 104927044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).