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

C19H22N2O3S2 — CID 53057307

IUPAC4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethylphenyl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2c(C)sc(C)c2-c2onc(C)c2C)cc1
InChIInChI=1S/C19H22N2O3S2/c1-6-15-7-9-16(10-8-15)21-26(22,23)19-14(5)25-13(4)17(19)18-11(2)12(3)20-24-18/h7-10,21H,6H2,1-5H3
InChIKeyDUHYFKJRJQPNNB-UHFFFAOYSA-N
MW390.53 g/mol
LogP5.00
Rot. Bonds5

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

4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethylphenyl)-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 53057307) has the molecular formula C19H22N2O3S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethylphenyl)-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound Name4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethylphenyl)-2,5-dimethylthiophene-3-sulfonamide
PubChem CID53057307
Molecular FormulaC19H22N2O3S2
Molecular Weight390.53 g/mol
Exact Mass390.11
IUPAC Name4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethylphenyl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2c(C)sc(C)c2-c2onc(C)c2C)cc1
InChIInChI=1S/C19H22N2O3S2/c1-6-15-7-9-16(10-8-15)21-26(22,23)19-14(5)25-13(4)17(19)18-11(2)12(3)20-24-18/h7-10,21H,6H2,1-5H3
InChIKeyDUHYFKJRJQPNNB-UHFFFAOYSA-N
XLogP5.00
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethylphenyl)-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-ethoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide
CID 53057314
4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethyl-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide
CID 53057346
5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-phenylthiophene-3-sulfonamide
CID 53079426
N-(4-fluorophenyl)-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057200
N-(4-chlorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057069
N-(3-chloro-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylthiophene-3-sulfonamide
CID 53079380
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-ethylbenzamide
CID 19225858
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110669909
N-(4-bromo-3-methylphenyl)-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057236
2-ethyl-N-(4-ethylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936343
5-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,5-dimethylthiophen-3-yl]-3,4-dimethyl-1,2-oxazole
CID 53057321
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-ethylphenoxy)propanamide
CID 108795812

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethylphenyl)-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethylphenyl)-2,5-dimethylthiophene-3-sulfonamide (CID 53057307) is 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethylphenyl)-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethylphenyl)-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethylphenyl)-2,5-dimethylthiophene-3-sulfonamide is CCc1ccc(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-ethylphenyl)-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is DUHYFKJRJQPNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S2/c1-6-15-7-9-16(10-8-15)21-26(22,23)19-14(5)25-13(4)17(19)18-11(2)12(3)20-24-18/h7-10,21H,6H2,1-5H3.
What are the key properties of 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethylphenyl)-2,5-dimethylthiophene-3-sulfonamide?
4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethylphenyl)-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 390.53 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethylphenyl)-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 53057307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).