methyl 4-[(4-cyclopropyl-3-ethoxy-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methylthiophene-3-carboxylate

C15H18N4O7S2 — CID 15484221

IUPACmethyl 4-[(4-cyclopropyl-3-ethoxy-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methylthiophene-3-carboxylate
SMILESCCOc1nn(C(=O)NS(=O)(=O)c2c(C(=O)OC)csc2C)c(=O)n1C1CC1
InChIInChI=1S/C15H18N4O7S2/c1-4-26-14-16-19(15(22)18(14)9-5-6-9)13(21)17-28(23,24)11-8(2)27-7-10(11)12(20)25-3/h7,9H,4-6H2,1-3H3,(H,17,21)
InChIKeyAEXOJSTXEXZEHU-UHFFFAOYSA-N
MW430.46 g/mol
LogP0.88
Rot. Bonds6

About methyl 4-[(4-cyclopropyl-3-ethoxy-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methylthiophene-3-carboxylate

methyl 4-[(4-cyclopropyl-3-ethoxy-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methylthiophene-3-carboxylate (PubChem CID 15484221) has the molecular formula C15H18N4O7S2 and a molecular weight of 430.46 g/mol. Its IUPAC name is methyl 4-[(4-cyclopropyl-3-ethoxy-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-cyclopropyl-3-ethoxy-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methylthiophene-3-carboxylate
PubChem CID15484221
Molecular FormulaC15H18N4O7S2
Molecular Weight430.46 g/mol
Exact Mass430.06
IUPAC Namemethyl 4-[(4-cyclopropyl-3-ethoxy-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methylthiophene-3-carboxylate
SMILESCCOc1nn(C(=O)NS(=O)(=O)c2c(C(=O)OC)csc2C)c(=O)n1C1CC1
InChIInChI=1S/C15H18N4O7S2/c1-4-26-14-16-19(15(22)18(14)9-5-6-9)13(21)17-28(23,24)11-8(2)27-7-10(11)12(20)25-3/h7,9H,4-6H2,1-3H3,(H,17,21)
InChIKeyAEXOJSTXEXZEHU-UHFFFAOYSA-N
XLogP0.88
TPSA138.59 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.46
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze methyl 4-[(4-cyclopropyl-3-ethoxy-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methylthiophene-3-carboxylate 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 methyl 4-[(4-cyclopropyl-3-ethoxy-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methylthiophene-3-carboxylate?
The IUPAC name of methyl 4-[(4-cyclopropyl-3-ethoxy-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methylthiophene-3-carboxylate (CID 15484221) is methyl 4-[(4-cyclopropyl-3-ethoxy-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 4-[(4-cyclopropyl-3-ethoxy-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 4-[(4-cyclopropyl-3-ethoxy-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methylthiophene-3-carboxylate is CCOc1nn(C(=O)NS(=O)(=O)c2c(C(=O)OC)csc2C)c(=O)n1C1CC1.
What is the InChIKey of methyl 4-[(4-cyclopropyl-3-ethoxy-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methylthiophene-3-carboxylate?
The InChIKey is AEXOJSTXEXZEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O7S2/c1-4-26-14-16-19(15(22)18(14)9-5-6-9)13(21)17-28(23,24)11-8(2)27-7-10(11)12(20)25-3/h7,9H,4-6H2,1-3H3,(H,17,21).
What are the key properties of methyl 4-[(4-cyclopropyl-3-ethoxy-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methylthiophene-3-carboxylate?
methyl 4-[(4-cyclopropyl-3-ethoxy-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methylthiophene-3-carboxylate has a molecular weight of 430.46 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-cyclopropyl-3-ethoxy-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 15484221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).