(2S)-2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]pentanamide;hydrochloride

C13H22ClN3O3S — CID 119701898

IUPAC(2S)-2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]pentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(CS(N)(=O)=O)cc1.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-9(2)7-12(14)13(17)16-11-5-3-10(4-6-11)8-20(15,18)19;/h3-6,9,12H,7-8,14H2,1-2H3,(H,16,17)(H2,15,18,19);1H/t12-;/m0./s1
InChIKeyNTVGZEXHQKLKNK-YDALLXLXSA-N
MW335.86 g/mol
LogP1.21
Rot. Bonds6

About (2S)-2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]pentanamide;hydrochloride

(2S)-2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]pentanamide;hydrochloride (PubChem CID 119701898) has the molecular formula C13H22ClN3O3S and a molecular weight of 335.86 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]pentanamide;hydrochloride
PubChem CID119701898
Molecular FormulaC13H22ClN3O3S
Molecular Weight335.86 g/mol
Exact Mass335.11
IUPAC Name(2S)-2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]pentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(CS(N)(=O)=O)cc1.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-9(2)7-12(14)13(17)16-11-5-3-10(4-6-11)8-20(15,18)19;/h3-6,9,12H,7-8,14H2,1-2H3,(H,16,17)(H2,15,18,19);1H/t12-;/m0./s1
InChIKeyNTVGZEXHQKLKNK-YDALLXLXSA-N
XLogP1.21
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide
CID 79024483
2-methyl-3-oxo-3-[4-(sulfamoylmethyl)anilino]propanoic acid
CID 114898086
(2S)-2-amino-4-methyl-N-(4-methylsulfonylphenyl)pentanamide
CID 61148804
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
3-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide;hydrochloride
CID 119701893
2-amino-4-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 24696711
(2S)-N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-2-amino-4-methylpentanamide
CID 119792493
(2R)-2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-4-methylpentanamide
CID 104902669
(2S)-2-amino-4-methyl-N-[4-(phenylsulfamoyl)phenyl]pentanamide;hydrochloride
CID 119680202
(2S)-2-amino-4-methyl-N-(4-propan-2-yloxyphenyl)pentanamide
CID 22691065
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-hydroxybenzoic acid
CID 61159275
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-ethylbenzamide;hydrochloride
CID 119714147

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]pentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]pentanamide;hydrochloride (CID 119701898) is (2S)-2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]pentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]pentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]pentanamide;hydrochloride is CC(C)C[C@H](N)C(=O)Nc1ccc(CS(N)(=O)=O)cc1.Cl.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]pentanamide;hydrochloride?
The InChIKey is NTVGZEXHQKLKNK-YDALLXLXSA-N. The full InChI is InChI=1S/C13H21N3O3S.ClH/c1-9(2)7-12(14)13(17)16-11-5-3-10(4-6-11)8-20(15,18)19;/h3-6,9,12H,7-8,14H2,1-2H3,(H,16,17)(H2,15,18,19);1H/t12-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]pentanamide;hydrochloride?
(2S)-2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]pentanamide;hydrochloride has a molecular weight of 335.86 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 119701898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).