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

C20H22N2O5S — CID 53054230

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-ethoxyphenyl)-2-methoxybenzenesulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1cc(-c2c(C)noc2C)ccc1OC
InChIInChI=1S/C20H22N2O5S/c1-5-26-17-9-7-6-8-16(17)22-28(23,24)19-12-15(10-11-18(19)25-4)20-13(2)21-27-14(20)3/h6-12,22H,5H2,1-4H3
InChIKeyCCIDQUNUYDLYQL-UHFFFAOYSA-N
MW402.47 g/mol
LogP4.17
Rot. Bonds7

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

5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-ethoxyphenyl)-2-methoxybenzenesulfonamide (PubChem CID 53054230) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-ethoxyphenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-ethoxyphenyl)-2-methoxybenzenesulfonamide
PubChem CID53054230
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-ethoxyphenyl)-2-methoxybenzenesulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1cc(-c2c(C)noc2C)ccc1OC
InChIInChI=1S/C20H22N2O5S/c1-5-26-17-9-7-6-8-16(17)22-28(23,24)19-12-15(10-11-18(19)25-4)20-13(2)21-27-14(20)3/h6-12,22H,5H2,1-4H3
InChIKeyCCIDQUNUYDLYQL-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

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

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Related Compounds

N-[4-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
CID 53133239
N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide
CID 53054200
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 53054209
5-chloro-N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 9267445
N-(2-ethoxyphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20934988
N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 50876640
2-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060136
N-(2-ethoxyphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide
CID 39847542
2-bromo-N-(2-ethoxyphenyl)-4,5-dimethoxybenzenesulfonamide
CID 27658176
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide
CID 20935605
ethyl 5-[3-[(2-ethylphenyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate
CID 20941009
N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
CID 53133079

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-ethoxyphenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-ethoxyphenyl)-2-methoxybenzenesulfonamide (CID 53054230) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-ethoxyphenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-ethoxyphenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-ethoxyphenyl)-2-methoxybenzenesulfonamide is CCOc1ccccc1NS(=O)(=O)c1cc(-c2c(C)noc2C)ccc1OC.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-ethoxyphenyl)-2-methoxybenzenesulfonamide?
The InChIKey is CCIDQUNUYDLYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-5-26-17-9-7-6-8-16(17)22-28(23,24)19-12-15(10-11-18(19)25-4)20-13(2)21-27-14(20)3/h6-12,22H,5H2,1-4H3.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-ethoxyphenyl)-2-methoxybenzenesulfonamide?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-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-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-ethoxyphenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 53054230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).