3-amino-N-[4-(methanesulfonamido)phenyl]butanamide

C11H17N3O3S — CID 60836339

IUPAC3-amino-N-[4-(methanesulfonamido)phenyl]butanamide
SMILESCC(N)CC(=O)Nc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C11H17N3O3S/c1-8(12)7-11(15)13-9-3-5-10(6-4-9)14-18(2,16)17/h3-6,8,14H,7,12H2,1-2H3,(H,13,15)
InChIKeyGWTRUMKGGNKVIY-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.73
Rot. Bonds5

About 3-amino-N-[4-(methanesulfonamido)phenyl]butanamide

3-amino-N-[4-(methanesulfonamido)phenyl]butanamide (PubChem CID 60836339) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-amino-N-[4-(methanesulfonamido)phenyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[4-(methanesulfonamido)phenyl]butanamide
PubChem CID60836339
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name3-amino-N-[4-(methanesulfonamido)phenyl]butanamide
SMILESCC(N)CC(=O)Nc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C11H17N3O3S/c1-8(12)7-11(15)13-9-3-5-10(6-4-9)14-18(2,16)17/h3-6,8,14H,7,12H2,1-2H3,(H,13,15)
InChIKeyGWTRUMKGGNKVIY-UHFFFAOYSA-N
XLogP0.73
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[4-(methanesulfonamido)phenyl]methyl]butanamide;hydrochloride
CID 119710882
3-amino-N-[4-(2-methylsulfonylethyl)phenyl]butanamide
CID 120873362
N-[4-(methanesulfonamido)phenyl]-4-methylpentanamide
CID 29357603
3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119701459
3-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide;hydrochloride
CID 119701893
3-amino-N-(4-ethylphenyl)butanamide;hydrochloride
CID 119674065
N-[4-(3-aminobutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 61254421
3-amino-N-(4-phenylphenyl)butanamide
CID 60835996
(2S)-2-amino-N-[4-(methanesulfonamido)phenyl]-3-methylpentanamide
CID 61173370
3-amino-N-[4-[(4-methoxyphenyl)sulfamoylmethyl]phenyl]butanamide;hydrochloride
CID 119731007
3-amino-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]butanamide
CID 119713096
N'-[4-(methanesulfonamido)phenyl]-2-methylpropanediamide
CID 173077948

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(methanesulfonamido)phenyl]butanamide?
The IUPAC name of 3-amino-N-[4-(methanesulfonamido)phenyl]butanamide (CID 60836339) is 3-amino-N-[4-(methanesulfonamido)phenyl]butanamide.
What is the SMILES notation for 3-amino-N-[4-(methanesulfonamido)phenyl]butanamide?
The canonical SMILES for 3-amino-N-[4-(methanesulfonamido)phenyl]butanamide is CC(N)CC(=O)Nc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of 3-amino-N-[4-(methanesulfonamido)phenyl]butanamide?
The InChIKey is GWTRUMKGGNKVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-8(12)7-11(15)13-9-3-5-10(6-4-9)14-18(2,16)17/h3-6,8,14H,7,12H2,1-2H3,(H,13,15).
What are the key properties of 3-amino-N-[4-(methanesulfonamido)phenyl]butanamide?
3-amino-N-[4-(methanesulfonamido)phenyl]butanamide has a molecular weight of 271.34 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(methanesulfonamido)phenyl]butanamide is sourced from PubChem (CID 60836339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).