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

C22H20N2O4S — CID 39983419

IUPACN-benzyl-3-methyl-N-(3-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1
InChIInChI=1S/C22H20N2O4S/c1-16-7-6-10-18(13-16)24(15-17-8-4-3-5-9-17)29(26,27)19-11-12-20-21(14-19)28-22(25)23(20)2/h3-14H,15H2,1-2H3
InChIKeyBZHKWBWQEWBLJX-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.84
Rot. Bonds5

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

N-benzyl-3-methyl-N-(3-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 39983419) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-benzyl-3-methyl-N-(3-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-benzyl-3-methyl-N-(3-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID39983419
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC NameN-benzyl-3-methyl-N-(3-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1
InChIInChI=1S/C22H20N2O4S/c1-16-7-6-10-18(13-16)24(15-17-8-4-3-5-9-17)29(26,27)19-11-12-20-21(14-19)28-22(25)23(20)2/h3-14H,15H2,1-2H3
InChIKeyBZHKWBWQEWBLJX-UHFFFAOYSA-N
XLogP3.84
TPSA72.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 6622150
N-benzyl-2-fluoro-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzamide
CID 18590145
N-(3-methylphenyl)-N-[(3-methylphenyl)methyl]-4-nitrobenzenesulfonamide
CID 46022749
N-[(4-methoxyphenyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 31534187
1-acetyl-N-benzyl-N-(3-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 52561459
ethyl 2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 6619734
N-[(4-fluorophenyl)methyl]-3-methyl-N-phenylbenzenesulfonamide
CID 46023035
N-benzyl-N-(4-bromophenyl)-3-methylbenzenesulfonamide
CID 46022840
N-benzyl-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 126386470
N,3-dimethyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide
CID 31534899
2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetamide
CID 19259934
2-[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]-N,N-dimethylacetamide
CID 19259989

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-N-(3-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-benzyl-3-methyl-N-(3-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 39983419) is N-benzyl-3-methyl-N-(3-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-benzyl-3-methyl-N-(3-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-benzyl-3-methyl-N-(3-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide is Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1.
What is the InChIKey of N-benzyl-3-methyl-N-(3-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is BZHKWBWQEWBLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S/c1-16-7-6-10-18(13-16)24(15-17-8-4-3-5-9-17)29(26,27)19-11-12-20-21(14-19)28-22(25)23(20)2/h3-14H,15H2,1-2H3.
What are the key properties of N-benzyl-3-methyl-N-(3-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide?
N-benzyl-3-methyl-N-(3-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 408.48 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-N-(3-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 39983419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).