2-amino-N-[2-(benzenesulfonylmethyl)phenyl]pentanamide;hydrochloride

C18H23ClN2O3S — CID 119320774

IUPAC2-amino-N-[2-(benzenesulfonylmethyl)phenyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C18H22N2O3S.ClH/c1-2-8-16(19)18(21)20-17-12-7-6-9-14(17)13-24(22,23)15-10-4-3-5-11-15;/h3-7,9-12,16H,2,8,13,19H2,1H3,(H,20,21);1H
InChIKeyQFNVSTICJKPIGQ-UHFFFAOYSA-N
MW382.91 g/mol
LogP3.15
Rot. Bonds7

About 2-amino-N-[2-(benzenesulfonylmethyl)phenyl]pentanamide;hydrochloride

2-amino-N-[2-(benzenesulfonylmethyl)phenyl]pentanamide;hydrochloride (PubChem CID 119320774) has the molecular formula C18H23ClN2O3S and a molecular weight of 382.91 g/mol. Its IUPAC name is 2-amino-N-[2-(benzenesulfonylmethyl)phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(benzenesulfonylmethyl)phenyl]pentanamide;hydrochloride
PubChem CID119320774
Molecular FormulaC18H23ClN2O3S
Molecular Weight382.91 g/mol
Exact Mass382.11
IUPAC Name2-amino-N-[2-(benzenesulfonylmethyl)phenyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C18H22N2O3S.ClH/c1-2-8-16(19)18(21)20-17-12-7-6-9-14(17)13-24(22,23)15-10-4-3-5-11-15;/h3-7,9-12,16H,2,8,13,19H2,1H3,(H,20,21);1H
InChIKeyQFNVSTICJKPIGQ-UHFFFAOYSA-N
XLogP3.15
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.91
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-(benzenesulfonylmethyl)phenyl]propanamide
CID 122147122
2-amino-N-[2-[(dimethylamino)methyl]phenyl]pentanamide
CID 43695727
2-amino-N-[2-(methoxymethyl)phenyl]pentanamide
CID 43701011
(2S)-2-amino-N-[2-(ethylsulfamoyl)phenyl]pentanamide
CID 107568567
2-amino-N-(2-phenylsulfanylphenyl)pentanamide
CID 61253814
N-[2-(benzenesulfonylmethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 56783782
2-[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]acetic acid
CID 81088004
2-amino-N-(2-propoxyphenyl)pentanamide
CID 43702443
2-amino-N-[2-(benzenesulfonamido)ethyl]pentanamide
CID 119279112
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)pentanamide
CID 107570097
(2S)-2-amino-N-(2-ethylphenyl)-4-methylsulfanylbutanamide
CID 22691889
2-amino-N-(2-methylsulfonylphenyl)hexanamide
CID 54928189

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(benzenesulfonylmethyl)phenyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(benzenesulfonylmethyl)phenyl]pentanamide;hydrochloride (CID 119320774) is 2-amino-N-[2-(benzenesulfonylmethyl)phenyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(benzenesulfonylmethyl)phenyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(benzenesulfonylmethyl)phenyl]pentanamide;hydrochloride is CCCC(N)C(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1.Cl.
What is the InChIKey of 2-amino-N-[2-(benzenesulfonylmethyl)phenyl]pentanamide;hydrochloride?
The InChIKey is QFNVSTICJKPIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S.ClH/c1-2-8-16(19)18(21)20-17-12-7-6-9-14(17)13-24(22,23)15-10-4-3-5-11-15;/h3-7,9-12,16H,2,8,13,19H2,1H3,(H,20,21);1H.
What are the key properties of 2-amino-N-[2-(benzenesulfonylmethyl)phenyl]pentanamide;hydrochloride?
2-amino-N-[2-(benzenesulfonylmethyl)phenyl]pentanamide;hydrochloride has a molecular weight of 382.91 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(benzenesulfonylmethyl)phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 119320774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).