5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide

C19H20N2O5S — CID 53054191

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(-c3c(C)noc3C)ccc2OC)cc1
InChIInChI=1S/C19H20N2O5S/c1-12-19(13(2)26-20-12)14-5-10-17(25-4)18(11-14)27(22,23)21-15-6-8-16(24-3)9-7-15/h5-11,21H,1-4H3
InChIKeyCBDNQLWEBDFRNQ-UHFFFAOYSA-N
MW388.45 g/mol
LogP3.78
Rot. Bonds6

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide

5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 53054191) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID53054191
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(-c3c(C)noc3C)ccc2OC)cc1
InChIInChI=1S/C19H20N2O5S/c1-12-19(13(2)26-20-12)14-5-10-17(25-4)18(11-14)27(22,23)21-15-6-8-16(24-3)9-7-15/h5-11,21H,1-4H3
InChIKeyCBDNQLWEBDFRNQ-UHFFFAOYSA-N
XLogP3.78
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide (CID 53054191) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2cc(-c3c(C)noc3C)ccc2OC)cc1.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is CBDNQLWEBDFRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-12-19(13(2)26-20-12)14-5-10-17(25-4)18(11-14)27(22,23)21-15-6-8-16(24-3)9-7-15/h5-11,21H,1-4H3.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 388.45 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 53054191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).