N-(2-amino-2-ethylbutyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride

C14H22ClN3O4S — CID 119989748

IUPACN-(2-amino-2-ethylbutyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride
SMILESCCC(N)(CC)CNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C.Cl
InChIInChI=1S/C14H21N3O4S.ClH/c1-4-14(15,5-2)9-16-22(19,20)10-6-7-11-12(8-10)21-13(18)17(11)3;/h6-8,16H,4-5,9,15H2,1-3H3;1H
InChIKeyPOGRRNXDDZKFLL-UHFFFAOYSA-N
MW363.87 g/mol
LogP1.35
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride

N-(2-amino-2-ethylbutyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride (PubChem CID 119989748) has the molecular formula C14H22ClN3O4S and a molecular weight of 363.87 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride
PubChem CID119989748
Molecular FormulaC14H22ClN3O4S
Molecular Weight363.87 g/mol
Exact Mass363.10
IUPAC NameN-(2-amino-2-ethylbutyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride
SMILESCCC(N)(CC)CNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C.Cl
InChIInChI=1S/C14H21N3O4S.ClH/c1-4-14(15,5-2)9-16-22(19,20)10-6-7-11-12(8-10)21-13(18)17(11)3;/h6-8,16H,4-5,9,15H2,1-3H3;1H
InChIKeyPOGRRNXDDZKFLL-UHFFFAOYSA-N
XLogP1.35
TPSA107.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-amino-2-ethylbutyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 20859011
N-(2-aminobutyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 63730962
N-(2-aminopropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 63731478
N-[2-(tert-butylamino)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 56806975
3-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110733980
N-(2,3-dihydroxypropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 66176261
3-methyl-N-(oxan-4-ylmethyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110736456
N-(5-hydroxypentyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 107319361
N-[3-(dipropylamino)propyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 3242629
N-[2-(2-methoxyethylamino)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride
CID 120717520
3-methyl-2-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-1,3-benzoxazole-6-sulfonamide
CID 110789460
3-methyl-N-[(4-methylpiperidin-4-yl)methyl]-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride
CID 120720114

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride (CID 119989748) is N-(2-amino-2-ethylbutyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride is CCC(N)(CC)CNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride?
The InChIKey is POGRRNXDDZKFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S.ClH/c1-4-14(15,5-2)9-16-22(19,20)10-6-7-11-12(8-10)21-13(18)17(11)3;/h6-8,16H,4-5,9,15H2,1-3H3;1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride has a molecular weight of 363.87 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride is sourced from PubChem (CID 119989748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).