2-amino-N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpentanamide;hydrochloride

C14H24ClN3O3S — CID 119792370

IUPAC2-amino-N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1.Cl
InChIInChI=1S/C14H23N3O3S.ClH/c1-4-9-14(2,15)13(18)17-12-7-5-11(6-8-12)10-16-21(3,19)20;/h5-8,16H,4,9-10,15H2,1-3H3,(H,17,18);1H
InChIKeyMLGQUZZUNZPZQY-UHFFFAOYSA-N
MW349.88 g/mol
LogP1.61
Rot. Bonds7

About 2-amino-N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpentanamide;hydrochloride

2-amino-N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpentanamide;hydrochloride (PubChem CID 119792370) has the molecular formula C14H24ClN3O3S and a molecular weight of 349.88 g/mol. Its IUPAC name is 2-amino-N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpentanamide;hydrochloride
PubChem CID119792370
Molecular FormulaC14H24ClN3O3S
Molecular Weight349.88 g/mol
Exact Mass349.12
IUPAC Name2-amino-N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1.Cl
InChIInChI=1S/C14H23N3O3S.ClH/c1-4-9-14(2,15)13(18)17-12-7-5-11(6-8-12)10-16-21(3,19)20;/h5-8,16H,4,9-10,15H2,1-3H3,(H,17,18);1H
InChIKeyMLGQUZZUNZPZQY-UHFFFAOYSA-N
XLogP1.61
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 54928789
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N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpentanamide
CID 61258515
4-[(2-amino-2-methylpentanoyl)amino]benzoic acid
CID 61156660
methyl N-[4-[(2-amino-2-methylpentanoyl)amino]phenyl]carbamate
CID 60848240
2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide
CID 60848568
2-amino-2-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pentanamide
CID 119692461
2-amino-2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 119685767
2-amino-2-methyl-N-(6-methylsulfonyl-3-pyridinyl)pentanamide
CID 54928443
4-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide;hydrochloride
CID 119739022
2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylpentanamide
CID 60848779
2-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide
CID 106911813

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpentanamide;hydrochloride (CID 119792370) is 2-amino-N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1.Cl.
What is the InChIKey of 2-amino-N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpentanamide;hydrochloride?
The InChIKey is MLGQUZZUNZPZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S.ClH/c1-4-9-14(2,15)13(18)17-12-7-5-11(6-8-12)10-16-21(3,19)20;/h5-8,16H,4,9-10,15H2,1-3H3,(H,17,18);1H.
What are the key properties of 2-amino-N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpentanamide;hydrochloride?
2-amino-N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpentanamide;hydrochloride has a molecular weight of 349.88 g/mol, XLogP of 1.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119792370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).