N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

C17H18N2O4S — CID 6622150

IUPACN-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C17H18N2O4S/c1-3-19(12-13-7-5-4-6-8-13)24(21,22)14-9-10-15-16(11-14)23-17(20)18(15)2/h4-11H,3,12H2,1-2H3
InChIKeyLZLOCLPYOXXPJG-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.34
Rot. Bonds5

About N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 6622150) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID6622150
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C17H18N2O4S/c1-3-19(12-13-7-5-4-6-8-13)24(21,22)14-9-10-15-16(11-14)23-17(20)18(15)2/h4-11H,3,12H2,1-2H3
InChIKeyLZLOCLPYOXXPJG-UHFFFAOYSA-N
XLogP2.34
TPSA72.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-methyl-N-(3-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 39983419
N-benzyl-2-fluoro-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzamide
CID 18590145
N-[(4-methoxyphenyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 31534187
N-benzyl-N-ethyl-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide
CID 22238825
N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-sulfonamide
CID 110759810
methyl 2-[6-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051865
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 35767176
N,3-dimethyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide
CID 31534899
N-benzyl-N-ethyl-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide
CID 110676949
N-cyclopropyl-3-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-6-sulfonamide
CID 47022474
1-N,4-N-dibenzyl-4-N-ethyl-1-N-methylbenzene-1,4-disulfonamide
CID 1167043

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 6622150) is N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C.
What is the InChIKey of N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is LZLOCLPYOXXPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-3-19(12-13-7-5-4-6-8-13)24(21,22)14-9-10-15-16(11-14)23-17(20)18(15)2/h4-11H,3,12H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 346.41 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 6622150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).