N-(1-amino-4-methylpentan-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

C14H21N3O4S — CID 119983081

IUPACN-(1-amino-4-methylpentan-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCC(C)CC(CN)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C14H21N3O4S/c1-9(2)6-10(8-15)16-22(19,20)11-4-5-12-13(7-11)21-14(18)17(12)3/h4-5,7,9-10,16H,6,8,15H2,1-3H3
InChIKeyHSAOLDMDQNDYEW-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.78
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

N-(1-amino-4-methylpentan-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 119983081) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID119983081
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCC(C)CC(CN)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C14H21N3O4S/c1-9(2)6-10(8-15)16-22(19,20)11-4-5-12-13(7-11)21-14(18)17(12)3/h4-5,7,9-10,16H,6,8,15H2,1-3H3
InChIKeyHSAOLDMDQNDYEW-UHFFFAOYSA-N
XLogP0.78
TPSA107.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride
CID 119983080
3-methyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide
CID 92648175
N-(2-aminopropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 63731478
2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanoic acid
CID 43245029
N-(3,4-dimethylphenyl)-4-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]pentanamide
CID 20864199
(2R)-N-(3,4-dimethylphenyl)-4-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]pentanamide
CID 92665413
(2S)-N-(4-chlorophenyl)-4-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]pentanamide
CID 92665389
4-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(3-methylphenyl)pentanamide
CID 6622401
N-[2-(tert-butylamino)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 56806975
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-(4-bromo-3-methylphenyl)-4-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]pentanamide
CID 20864176

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 119983081) is N-(1-amino-4-methylpentan-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is CC(C)CC(CN)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is HSAOLDMDQNDYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-9(2)6-10(8-15)16-22(19,20)11-4-5-12-13(7-11)21-14(18)17(12)3/h4-5,7,9-10,16H,6,8,15H2,1-3H3.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
N-(1-amino-4-methylpentan-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 327.41 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 119983081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).