3-amino-N-[4-(2-methylsulfonylethyl)phenyl]butanamide

C13H20N2O3S — CID 120873362

IUPAC3-amino-N-[4-(2-methylsulfonylethyl)phenyl]butanamide
SMILESCC(N)CC(=O)Nc1ccc(CCS(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(14)9-13(16)15-12-5-3-11(4-6-12)7-8-19(2,17)18/h3-6,10H,7-9,14H2,1-2H3,(H,15,16)
InChIKeyACYDHZYEPXRCNY-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.95
Rot. Bonds6

About 3-amino-N-[4-(2-methylsulfonylethyl)phenyl]butanamide

3-amino-N-[4-(2-methylsulfonylethyl)phenyl]butanamide (PubChem CID 120873362) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-amino-N-[4-(2-methylsulfonylethyl)phenyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[4-(2-methylsulfonylethyl)phenyl]butanamide
PubChem CID120873362
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name3-amino-N-[4-(2-methylsulfonylethyl)phenyl]butanamide
SMILESCC(N)CC(=O)Nc1ccc(CCS(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(14)9-13(16)15-12-5-3-11(4-6-12)7-8-19(2,17)18/h3-6,10H,7-9,14H2,1-2H3,(H,15,16)
InChIKeyACYDHZYEPXRCNY-UHFFFAOYSA-N
XLogP0.95
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[4-(methanesulfonamido)phenyl]butanamide
CID 60836339
3-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide;hydrochloride
CID 119701893
3-amino-N-(4-ethylphenyl)butanamide;hydrochloride
CID 119674065
3-amino-N-[4-(2-methylsulfanylethyl)phenyl]butanamide;hydrochloride
CID 119769613
3-amino-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]butanamide
CID 119713096
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]butanamide
CID 54924467
3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119701459
3-amino-N-(4-phenylphenyl)butanamide
CID 60835996
N-[4-(3-aminobutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 61254421
N-(4-butylphenyl)-3-methylsulfonylpropanamide
CID 127504583
3-amino-N-[4-[(4-methoxyphenyl)sulfamoylmethyl]phenyl]butanamide;hydrochloride
CID 119731007
3-amino-N-[[4-(methanesulfonamido)phenyl]methyl]butanamide;hydrochloride
CID 119710882

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(2-methylsulfonylethyl)phenyl]butanamide?
The IUPAC name of 3-amino-N-[4-(2-methylsulfonylethyl)phenyl]butanamide (CID 120873362) is 3-amino-N-[4-(2-methylsulfonylethyl)phenyl]butanamide.
What is the SMILES notation for 3-amino-N-[4-(2-methylsulfonylethyl)phenyl]butanamide?
The canonical SMILES for 3-amino-N-[4-(2-methylsulfonylethyl)phenyl]butanamide is CC(N)CC(=O)Nc1ccc(CCS(C)(=O)=O)cc1.
What is the InChIKey of 3-amino-N-[4-(2-methylsulfonylethyl)phenyl]butanamide?
The InChIKey is ACYDHZYEPXRCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(14)9-13(16)15-12-5-3-11(4-6-12)7-8-19(2,17)18/h3-6,10H,7-9,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-N-[4-(2-methylsulfonylethyl)phenyl]butanamide?
3-amino-N-[4-(2-methylsulfonylethyl)phenyl]butanamide has a molecular weight of 284.38 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(2-methylsulfonylethyl)phenyl]butanamide is sourced from PubChem (CID 120873362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).