5-hydroxy-N-(2-methylsulfonylphenyl)pentanamide

C12H17NO4S — CID 79199090

IUPAC5-hydroxy-N-(2-methylsulfonylphenyl)pentanamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)CCCCO
InChIInChI=1S/C12H17NO4S/c1-18(16,17)11-7-3-2-6-10(11)13-12(15)8-4-5-9-14/h2-3,6-7,14H,4-5,8-9H2,1H3,(H,13,15)
InChIKeyNTYZSTFOYXPMDC-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.19
Rot. Bonds6

About 5-hydroxy-N-(2-methylsulfonylphenyl)pentanamide

5-hydroxy-N-(2-methylsulfonylphenyl)pentanamide (PubChem CID 79199090) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 5-hydroxy-N-(2-methylsulfonylphenyl)pentanamide.

Molecular Properties

Compound Name5-hydroxy-N-(2-methylsulfonylphenyl)pentanamide
PubChem CID79199090
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name5-hydroxy-N-(2-methylsulfonylphenyl)pentanamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)CCCCO
InChIInChI=1S/C12H17NO4S/c1-18(16,17)11-7-3-2-6-10(11)13-12(15)8-4-5-9-14/h2-3,6-7,14H,4-5,8-9H2,1H3,(H,13,15)
InChIKeyNTYZSTFOYXPMDC-UHFFFAOYSA-N
XLogP1.19
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylsulfamoyl)phenyl]-5-hydroxypentanamide
CID 79198757
5-hydroxy-N-(2-methylsulfanylphenyl)pentanamide
CID 79199002
N-(2-fluorophenyl)-5-hydroxypentanamide
CID 79019059
2-amino-N-[2-(2-methylsulfonylanilino)-2-oxoethyl]acetamide
CID 60849783
5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid
CID 60940929
N-(2-methylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78912870
methyl N-(2-methylsulfonylphenyl)carbamate
CID 117062831
1-(1-hydroxypropan-2-yl)-3-(2-methylsulfonylphenyl)urea
CID 51080334
5-chloro-N-[2-(methanesulfonamido)phenyl]pentanamide
CID 43700341
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-5-hydroxypentanamide
CID 79199579
2-(3-aminophenyl)-N-(2-methylsulfonylphenyl)acetamide
CID 62499509
2-amino-2-methyl-N-(2-methylsulfonylphenyl)propanamide
CID 61265607

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-(2-methylsulfonylphenyl)pentanamide?
The IUPAC name of 5-hydroxy-N-(2-methylsulfonylphenyl)pentanamide (CID 79199090) is 5-hydroxy-N-(2-methylsulfonylphenyl)pentanamide.
What is the SMILES notation for 5-hydroxy-N-(2-methylsulfonylphenyl)pentanamide?
The canonical SMILES for 5-hydroxy-N-(2-methylsulfonylphenyl)pentanamide is CS(=O)(=O)c1ccccc1NC(=O)CCCCO.
What is the InChIKey of 5-hydroxy-N-(2-methylsulfonylphenyl)pentanamide?
The InChIKey is NTYZSTFOYXPMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-18(16,17)11-7-3-2-6-10(11)13-12(15)8-4-5-9-14/h2-3,6-7,14H,4-5,8-9H2,1H3,(H,13,15).
What are the key properties of 5-hydroxy-N-(2-methylsulfonylphenyl)pentanamide?
5-hydroxy-N-(2-methylsulfonylphenyl)pentanamide has a molecular weight of 271.34 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-(2-methylsulfonylphenyl)pentanamide is sourced from PubChem (CID 79199090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).