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

C18H24ClN3O3S — CID 119680202

IUPAC(2S)-2-amino-4-methyl-N-[4-(phenylsulfamoyl)phenyl]pentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1.Cl
InChIInChI=1S/C18H23N3O3S.ClH/c1-13(2)12-17(19)18(22)20-14-8-10-16(11-9-14)25(23,24)21-15-6-4-3-5-7-15;/h3-11,13,17,21H,12,19H2,1-2H3,(H,20,22);1H/t17-;/m0./s1
InChIKeyNJIBGHDPXORXMD-LMOVPXPDSA-N
MW397.93 g/mol
LogP3.22
Rot. Bonds7

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

(2S)-2-amino-4-methyl-N-[4-(phenylsulfamoyl)phenyl]pentanamide;hydrochloride (PubChem CID 119680202) has the molecular formula C18H24ClN3O3S and a molecular weight of 397.93 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[4-(phenylsulfamoyl)phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[4-(phenylsulfamoyl)phenyl]pentanamide;hydrochloride
PubChem CID119680202
Molecular FormulaC18H24ClN3O3S
Molecular Weight397.93 g/mol
Exact Mass397.12
IUPAC Name(2S)-2-amino-4-methyl-N-[4-(phenylsulfamoyl)phenyl]pentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1.Cl
InChIInChI=1S/C18H23N3O3S.ClH/c1-13(2)12-17(19)18(22)20-14-8-10-16(11-9-14)25(23,24)21-15-6-4-3-5-7-15;/h3-11,13,17,21H,12,19H2,1-2H3,(H,20,22);1H/t17-;/m0./s1
InChIKeyNJIBGHDPXORXMD-LMOVPXPDSA-N
XLogP3.22
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.93
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-methyl-N-(4-methylsulfonylphenyl)pentanamide
CID 61148804
(2S)-2-amino-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]-4-methylpentanamide;hydrochloride
CID 119707038
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-phenylbenzamide
CID 119756457
(2S)-2-amino-N-(1-anilino-1-oxopropan-2-yl)-4-methylpentanamide;hydrochloride
CID 119785060
(2S)-2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]pentanamide;hydrochloride
CID 119701898
2-phenoxy-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 4939919
2-amino-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide
CID 145138135
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 61259711
(2S)-2-amino-4-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide;hydrochloride
CID 119679357
(2S)-2-amino-N-[2-(benzenesulfonamido)ethyl]-4-methylpentanamide;hydrochloride
CID 119704283
2-amino-4-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 24696711

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[4-(phenylsulfamoyl)phenyl]pentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-4-methyl-N-[4-(phenylsulfamoyl)phenyl]pentanamide;hydrochloride (CID 119680202) is (2S)-2-amino-4-methyl-N-[4-(phenylsulfamoyl)phenyl]pentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[4-(phenylsulfamoyl)phenyl]pentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[4-(phenylsulfamoyl)phenyl]pentanamide;hydrochloride is CC(C)C[C@H](N)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1.Cl.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[4-(phenylsulfamoyl)phenyl]pentanamide;hydrochloride?
The InChIKey is NJIBGHDPXORXMD-LMOVPXPDSA-N. The full InChI is InChI=1S/C18H23N3O3S.ClH/c1-13(2)12-17(19)18(22)20-14-8-10-16(11-9-14)25(23,24)21-15-6-4-3-5-7-15;/h3-11,13,17,21H,12,19H2,1-2H3,(H,20,22);1H/t17-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[4-(phenylsulfamoyl)phenyl]pentanamide;hydrochloride?
(2S)-2-amino-4-methyl-N-[4-(phenylsulfamoyl)phenyl]pentanamide;hydrochloride has a molecular weight of 397.93 g/mol, XLogP of 3.22, 7 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-(phenylsulfamoyl)phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 119680202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).