N-(2,5-diethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide

C19H22N2O5S2 — CID 53112129

IUPACN-(2,5-diethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCCOc1ccc(OCC)c(NS(=O)(=O)c2ccc(-c3onc(C)c3C)s2)c1
InChIInChI=1S/C19H22N2O5S2/c1-5-24-14-7-8-16(25-6-2)15(11-14)21-28(22,23)18-10-9-17(27-18)19-12(3)13(4)20-26-19/h7-11,21H,5-6H2,1-4H3
InChIKeyOLRVDOQXJHDZAJ-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.62
Rot. Bonds8

About N-(2,5-diethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide

N-(2,5-diethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide (PubChem CID 53112129) has the molecular formula C19H22N2O5S2 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
PubChem CID53112129
Molecular FormulaC19H22N2O5S2
Molecular Weight422.53 g/mol
Exact Mass422.10
IUPAC NameN-(2,5-diethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCCOc1ccc(OCC)c(NS(=O)(=O)c2ccc(-c3onc(C)c3C)s2)c1
InChIInChI=1S/C19H22N2O5S2/c1-5-24-14-7-8-16(25-6-2)15(11-14)21-28(22,23)18-10-9-17(27-18)19-12(3)13(4)20-26-19/h7-11,21H,5-6H2,1-4H3
InChIKeyOLRVDOQXJHDZAJ-UHFFFAOYSA-N
XLogP4.62
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2,5-diethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-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

5-bromo-N-(2,5-diethoxyphenyl)thiophene-2-sulfonamide
CID 3868034
N-(2-ethoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936262
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide
CID 20935605
N-(2,5-diethoxyphenyl)-4-iodobenzenesulfonamide
CID 3792893
2-bromo-N-(2,5-diethoxyphenyl)-4-methylbenzenesulfonamide
CID 35530767
4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide
CID 53057314
N-[5-[(Z)-2-[3-[(2,5-diethoxyphenyl)sulfamoyl]-4-methylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394062
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide
CID 53112086
N-(2,5-diethoxyphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
CID 53104512
N-(2,5-diethoxyphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
CID 53126413
N-(2,5-diethoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide
CID 20927097
N-(2-methoxy-5-methylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 20935961

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide (CID 53112129) is N-(2,5-diethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide is CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc(-c3onc(C)c3C)s2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is OLRVDOQXJHDZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S2/c1-5-24-14-7-8-16(25-6-2)15(11-14)21-28(22,23)18-10-9-17(27-18)19-12(3)13(4)20-26-19/h7-11,21H,5-6H2,1-4H3.
What are the key properties of N-(2,5-diethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
N-(2,5-diethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 422.53 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53112129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).