5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide

C20H22N2O5S — CID 20935605

IUPAC5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2OC)cc1
InChIInChI=1S/C20H22N2O5S/c1-5-26-17-9-7-16(8-10-17)22-28(23,24)19-12-15(6-11-18(19)25-4)20-13(2)14(3)21-27-20/h6-12,22H,5H2,1-4H3
InChIKeyFMVKKCSJPQOBAK-UHFFFAOYSA-N
MW402.47 g/mol
LogP4.17
Rot. Bonds7

About 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide

5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide (PubChem CID 20935605) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide
PubChem CID20935605
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC Name5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2OC)cc1
InChIInChI=1S/C20H22N2O5S/c1-5-26-17-9-7-16(8-10-17)22-28(23,24)19-12-15(6-11-18(19)25-4)20-13(2)14(3)21-27-20/h6-12,22H,5H2,1-4H3
InChIKeyFMVKKCSJPQOBAK-UHFFFAOYSA-N
XLogP4.17
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(diethylamino)ethyl]-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxybenzenesulfonamide
CID 20936548
5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 20936573
4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide
CID 53057314
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide
CID 20935455
N-[4-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
CID 53133073
N-(5-chloro-2-methoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 20935532
N-(2-chloro-4,6-dimethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 20935555
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxybenzenesulfonamide
CID 20936586
N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 42474812
N-[4-[4-methoxy-3-[(4-methylphenyl)sulfamoyl]phenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
CID 53133157
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-ethoxyphenyl)-2-methoxybenzenesulfonamide
CID 53054230
N-(3,5-dimethoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide
CID 53059982

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide (CID 20935605) is 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2OC)cc1.
What is the InChIKey of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide?
The InChIKey is FMVKKCSJPQOBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-5-26-17-9-7-16(8-10-17)22-28(23,24)19-12-15(6-11-18(19)25-4)20-13(2)14(3)21-27-20/h6-12,22H,5H2,1-4H3.
What are the key properties of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide?
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide has a molecular weight of 402.47 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 20935605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).