4-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide

C11H16N2O4S — CID 81433885

IUPAC4-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide
SMILESCS(=O)(=O)c1ccc(O)c(NC(=O)CCCN)c1
InChIInChI=1S/C11H16N2O4S/c1-18(16,17)8-4-5-10(14)9(7-8)13-11(15)3-2-6-12/h4-5,7,14H,2-3,6,12H2,1H3,(H,13,15)
InChIKeyIRJVAONOIIWLAS-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.47
Rot. Bonds5

About 4-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide

4-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide (PubChem CID 81433885) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide
PubChem CID81433885
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name4-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide
SMILESCS(=O)(=O)c1ccc(O)c(NC(=O)CCCN)c1
InChIInChI=1S/C11H16N2O4S/c1-18(16,17)8-4-5-10(14)9(7-8)13-11(15)3-2-6-12/h4-5,7,14H,2-3,6,12H2,1H3,(H,13,15)
InChIKeyIRJVAONOIIWLAS-UHFFFAOYSA-N
XLogP0.47
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-5-methylsulfonylphenyl)-4-(propan-2-ylamino)butanamide
CID 81422923
5-(2-fluoro-5-methylsulfonylanilino)-5-oxopentanoic acid
CID 60708181
4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)butanamide
CID 43703344
4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 60843473
(2R)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide
CID 81434349
4-amino-5-(2-hydroxy-5-methylsulfonylanilino)-5-oxopentanoic acid
CID 81423030
5-chloro-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
CID 43346625
(2S)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)hexanamide
CID 103950240
N-(5-ethylsulfonyl-2-hydroxyphenyl)pent-4-enamide
CID 51108082
2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanediamide
CID 81434078
4-amino-N-[2-(methanesulfonamido)phenyl]butanamide
CID 43710881
1-amino-N-(2-hydroxy-5-methylsulfonylphenyl)cyclopentane-1-carboxamide
CID 81433983

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide?
The IUPAC name of 4-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide (CID 81433885) is 4-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide.
What is the SMILES notation for 4-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide?
The canonical SMILES for 4-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide is CS(=O)(=O)c1ccc(O)c(NC(=O)CCCN)c1.
What is the InChIKey of 4-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide?
The InChIKey is IRJVAONOIIWLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-18(16,17)8-4-5-10(14)9(7-8)13-11(15)3-2-6-12/h4-5,7,14H,2-3,6,12H2,1H3,(H,13,15).
What are the key properties of 4-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide?
4-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide has a molecular weight of 272.33 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide is sourced from PubChem (CID 81433885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).