(2S)-2-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide

C11H17N3O3S — CID 79024483

IUPAC(2S)-2-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide
SMILESCC[C@H](N)C(=O)Nc1ccc(CS(N)(=O)=O)cc1
InChIInChI=1S/C11H17N3O3S/c1-2-10(12)11(15)14-9-5-3-8(4-6-9)7-18(13,16)17/h3-6,10H,2,7,12H2,1H3,(H,14,15)(H2,13,16,17)/t10-/m0/s1
InChIKeyBZUQJMSDWZJKIW-JTQLQIEISA-N
MW271.34 g/mol
LogP0.15
Rot. Bonds5

About (2S)-2-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide

(2S)-2-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide (PubChem CID 79024483) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide
PubChem CID79024483
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name(2S)-2-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide
SMILESCC[C@H](N)C(=O)Nc1ccc(CS(N)(=O)=O)cc1
InChIInChI=1S/C11H17N3O3S/c1-2-10(12)11(15)14-9-5-3-8(4-6-9)7-18(13,16)17/h3-6,10H,2,7,12H2,1H3,(H,14,15)(H2,13,16,17)/t10-/m0/s1
InChIKeyBZUQJMSDWZJKIW-JTQLQIEISA-N
XLogP0.15
TPSA115.28 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 ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]pentanamide;hydrochloride
CID 119701898
2-methyl-3-oxo-3-[4-(sulfamoylmethyl)anilino]propanoic acid
CID 114898086
2-amino-N-(4-ethylsulfonylphenyl)butanamide
CID 43704509
(2S)-2-amino-N-(4-ethylsulfonylphenyl)butanamide
CID 79024721
(2S)-2-amino-N-[4-[(dimethylamino)methyl]phenyl]butanamide
CID 79024584
(2S)-2-amino-N-[4-(cyanomethyl)phenyl]butanamide
CID 79024375
3-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide;hydrochloride
CID 119701893
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 61259711
4-[[(2S)-2-aminobutanoyl]amino]benzoic acid
CID 79023274
(2S)-2-amino-N-(4-ethyl-3-sulfamoylphenyl)butanamide
CID 119307334
2-(azetidin-3-yl)-N-[4-(sulfamoylmethyl)phenyl]propanamide
CID 116675714
methyl 2-[4-(sulfamoylmethyl)anilino]butanoate
CID 115352982

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide?
The IUPAC name of (2S)-2-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide (CID 79024483) is (2S)-2-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide is CC[C@H](N)C(=O)Nc1ccc(CS(N)(=O)=O)cc1.
What is the InChIKey of (2S)-2-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide?
The InChIKey is BZUQJMSDWZJKIW-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-2-10(12)11(15)14-9-5-3-8(4-6-9)7-18(13,16)17/h3-6,10H,2,7,12H2,1H3,(H,14,15)(H2,13,16,17)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide?
(2S)-2-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide has a molecular weight of 271.34 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide is sourced from PubChem (CID 79024483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).