2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide

C18H16N2O6S2 — CID 10502226

IUPAC2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccsc2C(=O)Cc2ccc3c(c2)OCO3)c1C
InChIInChI=1S/C18H16N2O6S2/c1-10-11(2)19-26-18(10)20-28(22,23)16-5-6-27-17(16)13(21)7-12-3-4-14-15(8-12)25-9-24-14/h3-6,8,20H,7,9H2,1-2H3
InChIKeyVQFMOPYTWFMRLA-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.31
Rot. Bonds6

About 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide

2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide (PubChem CID 10502226) has the molecular formula C18H16N2O6S2 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
PubChem CID10502226
Molecular FormulaC18H16N2O6S2
Molecular Weight420.47 g/mol
Exact Mass420.04
IUPAC Name2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccsc2C(=O)Cc2ccc3c(c2)OCO3)c1C
InChIInChI=1S/C18H16N2O6S2/c1-10-11(2)19-26-18(10)20-28(22,23)16-5-6-27-17(16)13(21)7-12-3-4-14-15(8-12)25-9-24-14/h3-6,8,20H,7,9H2,1-2H3
InChIKeyVQFMOPYTWFMRLA-UHFFFAOYSA-N
XLogP3.31
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-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

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide
CID 10274552
N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide;phosphoric acid
CID 146158089
2-(1,3-benzodioxol-5-ylmethylsulfinyl)-N-(4-chloro-3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 23445422
methyl 6-[2-[3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophen-2-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxylate
CID 141224699
N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(4,5-dihydroxy-2-methylphenyl)acetyl]thiophene-3-sulfonamide
CID 71055563
N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-[3-(hydroxymethyl)-2,4,6-trimethylphenyl]acetyl]thiophene-3-sulfonamide
CID 23445289
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(6-methyl-1,3-benzodioxol-5-yl)thiophene-2-carboxamide
CID 10226215
3-[2-[3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophen-2-yl]-2-oxoethyl]-2,4,6-trimethylbenzoic acid
CID 23445398
CID 162336330
CID 162336330
N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(3,4,5-trimethoxy-2-methylphenyl)acetyl]thiophene-3-sulfonamide
CID 174394504
N-(2-cyano-3,4,6-trimethylphenyl)-3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide
CID 10114414
3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-isocyano-3,4,6-trimethylphenyl)thiophene-2-carboxamide
CID 20616926

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The IUPAC name of 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide (CID 10502226) is 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide is Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Cc2ccc3c(c2)OCO3)c1C.
What is the InChIKey of 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The InChIKey is VQFMOPYTWFMRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O6S2/c1-10-11(2)19-26-18(10)20-28(22,23)16-5-6-27-17(16)13(21)7-12-3-4-14-15(8-12)25-9-24-14/h3-6,8,20H,7,9H2,1-2H3.
What are the key properties of 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide?
2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide has a molecular weight of 420.47 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 10502226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).