2-amino-4-(4-methylsulfonylphenoxy)butanamide

C11H16N2O4S — CID 63035136

IUPAC2-amino-4-(4-methylsulfonylphenoxy)butanamide
SMILESCS(=O)(=O)c1ccc(OCCC(N)C(N)=O)cc1
InChIInChI=1S/C11H16N2O4S/c1-18(15,16)9-4-2-8(3-5-9)17-7-6-10(12)11(13)14/h2-5,10H,6-7,12H2,1H3,(H2,13,14)
InChIKeyRDWNVEQZMHKOIL-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.33
Rot. Bonds6

About 2-amino-4-(4-methylsulfonylphenoxy)butanamide

2-amino-4-(4-methylsulfonylphenoxy)butanamide (PubChem CID 63035136) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-amino-4-(4-methylsulfonylphenoxy)butanamide.

Molecular Properties

Compound Name2-amino-4-(4-methylsulfonylphenoxy)butanamide
PubChem CID63035136
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-amino-4-(4-methylsulfonylphenoxy)butanamide
SMILESCS(=O)(=O)c1ccc(OCCC(N)C(N)=O)cc1
InChIInChI=1S/C11H16N2O4S/c1-18(15,16)9-4-2-8(3-5-9)17-7-6-10(12)11(13)14/h2-5,10H,6-7,12H2,1H3,(H2,13,14)
InChIKeyRDWNVEQZMHKOIL-UHFFFAOYSA-N
XLogP-0.33
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide
CID 63040659
2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]pentanamide;hydrochloride
CID 119306190
2-(ethylamino)-4-(4-methylsulfonylphenoxy)butanoic acid
CID 63035311
(2S)-2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]propanamide;hydrochloride
CID 119306168
6-(4-methylsulfonylphenoxy)hexan-1-ol
CID 107705402
6-(4-methylsulfonylphenoxy)hexan-3-one
CID 106801965
N-methyl-4-(4-methylsulfonylphenoxy)-N-[(2S)-pentan-2-yl]butanamide
CID 94815849
2-[3-(4-methylsulfonylphenoxy)propoxy]benzamide
CID 51097857
4-(4-methylsulfonylphenoxy)-2-(propylamino)butan-1-ol
CID 64807111
methyl 2-amino-4-(4-methoxyphenoxy)butanoate
CID 63041427
1-(5-chloropentoxy)-4-methylsulfonylbenzene
CID 43806955
2-amino-N,3-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]pentanamide
CID 119753811

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methylsulfonylphenoxy)butanamide?
The IUPAC name of 2-amino-4-(4-methylsulfonylphenoxy)butanamide (CID 63035136) is 2-amino-4-(4-methylsulfonylphenoxy)butanamide.
What is the SMILES notation for 2-amino-4-(4-methylsulfonylphenoxy)butanamide?
The canonical SMILES for 2-amino-4-(4-methylsulfonylphenoxy)butanamide is CS(=O)(=O)c1ccc(OCCC(N)C(N)=O)cc1.
What is the InChIKey of 2-amino-4-(4-methylsulfonylphenoxy)butanamide?
The InChIKey is RDWNVEQZMHKOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-18(15,16)9-4-2-8(3-5-9)17-7-6-10(12)11(13)14/h2-5,10H,6-7,12H2,1H3,(H2,13,14).
What are the key properties of 2-amino-4-(4-methylsulfonylphenoxy)butanamide?
2-amino-4-(4-methylsulfonylphenoxy)butanamide has a molecular weight of 272.33 g/mol, XLogP of -0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methylsulfonylphenoxy)butanamide is sourced from PubChem (CID 63035136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).