N-[(4-methoxyphenyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide

C17H18N2O5S — CID 31534187

IUPACN-[(4-methoxyphenyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1
InChIInChI=1S/C17H18N2O5S/c1-18(11-12-4-6-13(23-3)7-5-12)25(21,22)14-8-9-15-16(10-14)24-17(20)19(15)2/h4-10H,11H2,1-3H3
InChIKeyUQRFWNHBRLJTCG-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.96
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide

N-[(4-methoxyphenyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 31534187) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID31534187
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC NameN-[(4-methoxyphenyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1
InChIInChI=1S/C17H18N2O5S/c1-18(11-12-4-6-13(23-3)7-5-12)25(21,22)14-8-9-15-16(10-14)24-17(20)19(15)2/h4-10H,11H2,1-3H3
InChIKeyUQRFWNHBRLJTCG-UHFFFAOYSA-N
XLogP1.96
TPSA81.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 6622150
N,3-dimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide
CID 110715789
N,3-dimethyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide
CID 31534899
N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride
CID 119991453
6-[(4-methoxyphenyl)methylamino]-3-methyl-1,3-benzoxazol-2-one
CID 22433803
2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetamide
CID 19259934
ethyl 2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 6619734
6-(methoxymethyl)-3-methyl-1,3-benzoxazol-2-one
CID 116932265
3-cyano-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 175946783
N-cyclopropyl-3-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-6-sulfonamide
CID 47022474
N-[(4-chlorophenyl)methyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide
CID 19259468
N-benzyl-3-methyl-N-(3-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 39983419

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 31534187) is N-[(4-methoxyphenyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide is COc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is UQRFWNHBRLJTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-18(11-12-4-6-13(23-3)7-5-12)25(21,22)14-8-9-15-16(10-14)24-17(20)19(15)2/h4-10H,11H2,1-3H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
N-[(4-methoxyphenyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 362.41 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 31534187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).