N-(2,5-dimethoxyphenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide

C19H20N2O5S — CID 20958930

IUPACN-(2,5-dimethoxyphenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2cc(-c3cnc(C)o3)ccc2C)c1
InChIInChI=1S/C19H20N2O5S/c1-12-5-6-14(18-11-20-13(2)26-18)9-19(12)27(22,23)21-16-10-15(24-3)7-8-17(16)25-4/h5-11,21H,1-4H3
InChIKeyRHEAEIANRLHYBU-UHFFFAOYSA-N
MW388.45 g/mol
LogP3.78
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide

N-(2,5-dimethoxyphenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide (PubChem CID 20958930) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
PubChem CID20958930
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC NameN-(2,5-dimethoxyphenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2cc(-c3cnc(C)o3)ccc2C)c1
InChIInChI=1S/C19H20N2O5S/c1-12-5-6-14(18-11-20-13(2)26-18)9-19(12)27(22,23)21-16-10-15(24-3)7-8-17(16)25-4/h5-11,21H,1-4H3
InChIKeyRHEAEIANRLHYBU-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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Related Compounds

N-(2-methoxyphenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958977
N-(2,5-dimethoxyphenyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958814
N-(3-chloro-2-methylphenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958925
N-(2,5-dimethoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide
CID 46394920
N-(3-cyanophenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 46345289
N-(2,5-dimethoxyphenyl)-2-[[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 50775627
2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide
CID 20958983
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-methyl-5-nitrobenzenesulfonamide
CID 21367365
N-(2,5-dimethoxyphenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 20913991
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 146041234
5-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 26968930
5-(3-methoxyphenyl)-2-methyl-1,3-oxazole
CID 67394978

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide (CID 20958930) is N-(2,5-dimethoxyphenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide is COc1ccc(OC)c(NS(=O)(=O)c2cc(-c3cnc(C)o3)ccc2C)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The InChIKey is RHEAEIANRLHYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-12-5-6-14(18-11-20-13(2)26-18)9-19(12)27(22,23)21-16-10-15(24-3)7-8-17(16)25-4/h5-11,21H,1-4H3.
What are the key properties of N-(2,5-dimethoxyphenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
N-(2,5-dimethoxyphenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)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 N-(2,5-dimethoxyphenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 20958930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).