N-(2,5-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide

C16H16N2O6S — CID 170286220

IUPACN-(2,5-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc3oc(=O)n(C)c3c2)c1
InChIInChI=1S/C16H16N2O6S/c1-18-13-9-11(5-7-15(13)24-16(18)19)25(20,21)17-12-8-10(22-2)4-6-14(12)23-3/h4-9,17H,1-3H3
InChIKeySKUMHLWOHXKMFV-UHFFFAOYSA-N
MW364.38 g/mol
LogP1.95
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide

N-(2,5-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide (PubChem CID 170286220) has the molecular formula C16H16N2O6S and a molecular weight of 364.38 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
PubChem CID170286220
Molecular FormulaC16H16N2O6S
Molecular Weight364.38 g/mol
Exact Mass364.07
IUPAC NameN-(2,5-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc3oc(=O)n(C)c3c2)c1
InChIInChI=1S/C16H16N2O6S/c1-18-13-9-11(5-7-15(13)24-16(18)19)25(20,21)17-12-8-10(22-2)4-6-14(12)23-3/h4-9,17H,1-3H3
InChIKeySKUMHLWOHXKMFV-UHFFFAOYSA-N
XLogP1.95
TPSA99.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 146025057
N-(2-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 110760844
N,3-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 83542954
N-(2,5-dimethoxyphenyl)-3,5-dimethoxybenzenesulfonamide
CID 24989180
(2S)-N-(2,5-dimethoxyphenyl)-3-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]butanamide
CID 92665526
3,4-dimethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 20962046
N-(2,5-dimethoxyphenyl)naphthalene-2-sulfonamide
CID 823335
N-cyano-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 146025046
N-(2,5-dimethoxyphenyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958814
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide
CID 126412231
N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 97355105
4-[(2,5-dimethoxyphenyl)sulfamoyl]benzoate
CID 4060147

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide (CID 170286220) is N-(2,5-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide is COc1ccc(OC)c(NS(=O)(=O)c2ccc3oc(=O)n(C)c3c2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The InChIKey is SKUMHLWOHXKMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6S/c1-18-13-9-11(5-7-15(13)24-16(18)19)25(20,21)17-12-8-10(22-2)4-6-14(12)23-3/h4-9,17H,1-3H3.
What are the key properties of N-(2,5-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
N-(2,5-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide has a molecular weight of 364.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 170286220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).