(2S)-2-amino-N-(4-ethyl-3-sulfamoylphenyl)butanamide

C12H19N3O3S — CID 119307334

IUPAC(2S)-2-amino-N-(4-ethyl-3-sulfamoylphenyl)butanamide
SMILESCCc1ccc(NC(=O)[C@@H](N)CC)cc1S(N)(=O)=O
InChIInChI=1S/C12H19N3O3S/c1-3-8-5-6-9(7-11(8)19(14,17)18)15-12(16)10(13)4-2/h5-7,10H,3-4,13H2,1-2H3,(H,15,16)(H2,14,17,18)/t10-/m0/s1
InChIKeyKPQMACRQGOQUNV-JTQLQIEISA-N
MW285.37 g/mol
LogP0.57
Rot. Bonds5

About (2S)-2-amino-N-(4-ethyl-3-sulfamoylphenyl)butanamide

(2S)-2-amino-N-(4-ethyl-3-sulfamoylphenyl)butanamide (PubChem CID 119307334) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-ethyl-3-sulfamoylphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-ethyl-3-sulfamoylphenyl)butanamide
PubChem CID119307334
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name(2S)-2-amino-N-(4-ethyl-3-sulfamoylphenyl)butanamide
SMILESCCc1ccc(NC(=O)[C@@H](N)CC)cc1S(N)(=O)=O
InChIInChI=1S/C12H19N3O3S/c1-3-8-5-6-9(7-11(8)19(14,17)18)15-12(16)10(13)4-2/h5-7,10H,3-4,13H2,1-2H3,(H,15,16)(H2,14,17,18)/t10-/m0/s1
InChIKeyKPQMACRQGOQUNV-JTQLQIEISA-N
XLogP0.57
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]butanamide
CID 79024115
2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]butanamide
CID 61259264
3-amino-N-(4-ethyl-3-sulfamoylphenyl)propanamide;hydrochloride
CID 119307317
2-methyl-N-(4-methyl-3-sulfamoylphenyl)butanamide
CID 51331861
2-amino-N-(4-ethyl-3-nitrophenyl)butanamide
CID 43713228
1-amino-N-(4-ethyl-3-sulfamoylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119755602
(2S)-2-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide
CID 79024483
2-amino-N-(4-ethylsulfonylphenyl)butanamide
CID 43704509
(2S)-2-amino-N-(4-ethylsulfonylphenyl)butanamide
CID 79024721
4-[(4-ethyl-3-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673196
2-amino-N-(3-iodo-4-methylphenyl)butanamide
CID 43707975
(2S)-2-amino-N-(1,3-benzodioxol-5-yl)butanamide
CID 79025249

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-ethyl-3-sulfamoylphenyl)butanamide?
The IUPAC name of (2S)-2-amino-N-(4-ethyl-3-sulfamoylphenyl)butanamide (CID 119307334) is (2S)-2-amino-N-(4-ethyl-3-sulfamoylphenyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-ethyl-3-sulfamoylphenyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(4-ethyl-3-sulfamoylphenyl)butanamide is CCc1ccc(NC(=O)[C@@H](N)CC)cc1S(N)(=O)=O.
What is the InChIKey of (2S)-2-amino-N-(4-ethyl-3-sulfamoylphenyl)butanamide?
The InChIKey is KPQMACRQGOQUNV-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-3-8-5-6-9(7-11(8)19(14,17)18)15-12(16)10(13)4-2/h5-7,10H,3-4,13H2,1-2H3,(H,15,16)(H2,14,17,18)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-ethyl-3-sulfamoylphenyl)butanamide?
(2S)-2-amino-N-(4-ethyl-3-sulfamoylphenyl)butanamide has a molecular weight of 285.37 g/mol, XLogP of 0.57, 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-ethyl-3-sulfamoylphenyl)butanamide is sourced from PubChem (CID 119307334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).