3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[6-(cyanomethyl)-4-methyl-1,3-benzodioxol-5-yl]thiophene-2-carboxamide

C19H15ClN4O6S2 — CID 23445337

IUPAC3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[6-(cyanomethyl)-4-methyl-1,3-benzodioxol-5-yl]thiophene-2-carboxamide
SMILESCc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2c(CC#N)cc3c(c2C)OCO3)c1Cl
InChIInChI=1S/C19H15ClN4O6S2/c1-9-15(11(3-5-21)7-12-16(9)29-8-28-12)22-18(25)17-13(4-6-31-17)32(26,27)24-19-14(20)10(2)23-30-19/h4,6-7,24H,3,8H2,1-2H3,(H,22,25)
InChIKeyALXVMJKAARBCLY-UHFFFAOYSA-N
MW494.94 g/mol
LogP3.85
Rot. Bonds6

About 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[6-(cyanomethyl)-4-methyl-1,3-benzodioxol-5-yl]thiophene-2-carboxamide

3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[6-(cyanomethyl)-4-methyl-1,3-benzodioxol-5-yl]thiophene-2-carboxamide (PubChem CID 23445337) has the molecular formula C19H15ClN4O6S2 and a molecular weight of 494.94 g/mol. Its IUPAC name is 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[6-(cyanomethyl)-4-methyl-1,3-benzodioxol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[6-(cyanomethyl)-4-methyl-1,3-benzodioxol-5-yl]thiophene-2-carboxamide
PubChem CID23445337
Molecular FormulaC19H15ClN4O6S2
Molecular Weight494.94 g/mol
Exact Mass494.01
IUPAC Name3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[6-(cyanomethyl)-4-methyl-1,3-benzodioxol-5-yl]thiophene-2-carboxamide
SMILESCc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2c(CC#N)cc3c(c2C)OCO3)c1Cl
InChIInChI=1S/C19H15ClN4O6S2/c1-9-15(11(3-5-21)7-12-16(9)29-8-28-12)22-18(25)17-13(4-6-31-17)32(26,27)24-19-14(20)10(2)23-30-19/h4,6-7,24H,3,8H2,1-2H3,(H,22,25)
InChIKeyALXVMJKAARBCLY-UHFFFAOYSA-N
XLogP3.85
TPSA143.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.94
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[6-(cyanomethyl)-4-methyl-1,3-benzodioxol-5-yl]thiophene-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[6-(cyanomethyl)-4-methyl-1,3-benzodioxol-5-yl]thiophene-2-carboxamide?
The IUPAC name of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[6-(cyanomethyl)-4-methyl-1,3-benzodioxol-5-yl]thiophene-2-carboxamide (CID 23445337) is 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[6-(cyanomethyl)-4-methyl-1,3-benzodioxol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[6-(cyanomethyl)-4-methyl-1,3-benzodioxol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[6-(cyanomethyl)-4-methyl-1,3-benzodioxol-5-yl]thiophene-2-carboxamide is Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2c(CC#N)cc3c(c2C)OCO3)c1Cl.
What is the InChIKey of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[6-(cyanomethyl)-4-methyl-1,3-benzodioxol-5-yl]thiophene-2-carboxamide?
The InChIKey is ALXVMJKAARBCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O6S2/c1-9-15(11(3-5-21)7-12-16(9)29-8-28-12)22-18(25)17-13(4-6-31-17)32(26,27)24-19-14(20)10(2)23-30-19/h4,6-7,24H,3,8H2,1-2H3,(H,22,25).
What are the key properties of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[6-(cyanomethyl)-4-methyl-1,3-benzodioxol-5-yl]thiophene-2-carboxamide?
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[6-(cyanomethyl)-4-methyl-1,3-benzodioxol-5-yl]thiophene-2-carboxamide has a molecular weight of 494.94 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[6-(cyanomethyl)-4-methyl-1,3-benzodioxol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 23445337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).