N-(5-ethyl-2-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

C17H18N2O4S — CID 110424716

IUPACN-(5-ethyl-2-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCCc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1
InChIInChI=1S/C17H18N2O4S/c1-4-12-6-5-11(2)14(9-12)18-24(21,22)13-7-8-15-16(10-13)23-17(20)19(15)3/h5-10,18H,4H2,1-3H3
InChIKeyWTHQWFSVBHBGHB-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.80
Rot. Bonds4

About N-(5-ethyl-2-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

N-(5-ethyl-2-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 110424716) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(5-ethyl-2-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-2-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID110424716
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-(5-ethyl-2-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCCc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1
InChIInChI=1S/C17H18N2O4S/c1-4-12-6-5-11(2)14(9-12)18-24(21,22)13-7-8-15-16(10-13)23-17(20)19(15)3/h5-10,18H,4H2,1-3H3
InChIKeyWTHQWFSVBHBGHB-UHFFFAOYSA-N
XLogP2.80
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-sulfonamide
CID 666515
N-butyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 20859011
3-methyl-2-oxo-N-(2-oxo-1H-pyridin-3-yl)-1,3-benzoxazole-6-sulfonamide
CID 110727203
N-(4-chloro-3-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 70124119
N-(5-ethyl-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110604065
N-(2-chloro-4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713207
N-(4-tert-butylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713117
6-[(3-fluoro-4-methylphenyl)methylsulfonyl]-3-methyl-1,3-benzoxazol-2-one
CID 161159139
3-methyl-N-(2-methyl-4-pyridinyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110756901
N-[2-(4-ethoxyphenoxy)phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713533
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713260
3-methyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide
CID 92648175

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-2-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(5-ethyl-2-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 110424716) is N-(5-ethyl-2-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(5-ethyl-2-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(5-ethyl-2-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is CCc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1.
What is the InChIKey of N-(5-ethyl-2-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is WTHQWFSVBHBGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-4-12-6-5-11(2)14(9-12)18-24(21,22)13-7-8-15-16(10-13)23-17(20)19(15)3/h5-10,18H,4H2,1-3H3.
What are the key properties of N-(5-ethyl-2-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
N-(5-ethyl-2-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 346.41 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-2-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110424716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).