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

C19H22N2O4S2 — CID 53057314

IUPAC4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2c(C)sc(C)c2-c2onc(C)c2C)cc1
InChIInChI=1S/C19H22N2O4S2/c1-6-24-16-9-7-15(8-10-16)21-27(22,23)19-14(5)26-13(4)17(19)18-11(2)12(3)20-25-18/h7-10,21H,6H2,1-5H3
InChIKeyGNNJILHUPYMFSI-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.84
Rot. Bonds6

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

4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 53057314) has the molecular formula C19H22N2O4S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound Name4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide
PubChem CID53057314
Molecular FormulaC19H22N2O4S2
Molecular Weight406.53 g/mol
Exact Mass406.10
IUPAC Name4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2c(C)sc(C)c2-c2onc(C)c2C)cc1
InChIInChI=1S/C19H22N2O4S2/c1-6-24-16-9-7-15(8-10-16)21-27(22,23)19-14(5)26-13(4)17(19)18-11(2)12(3)20-25-18/h7-10,21H,6H2,1-5H3
InChIKeyGNNJILHUPYMFSI-UHFFFAOYSA-N
XLogP4.84
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethylphenyl)-2,5-dimethylthiophene-3-sulfonamide
CID 53057307
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide
CID 20935605
N-(2,5-diethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 53112129
N-(3-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 47310519
N-(4-fluorophenyl)-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057200
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-phenylthiophene-3-sulfonamide
CID 53079426
N-(4-chlorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057069
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(4-ethoxyphenyl)sulfonylamino]-N-methylbenzamide
CID 55621572
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
N-(4-ethoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151931
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110669909

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide (CID 53057314) is 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide is CCOc1ccc(NS(=O)(=O)c2c(C)sc(C)c2-c2onc(C)c2C)cc1.
What is the InChIKey of 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is GNNJILHUPYMFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S2/c1-6-24-16-9-7-15(8-10-16)21-27(22,23)19-14(5)26-13(4)17(19)18-11(2)12(3)20-25-18/h7-10,21H,6H2,1-5H3.
What are the key properties of 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide?
4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 406.53 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 53057314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).