methyl 3-[[[5-(diethylsulfamoyl)-2-pyridinyl]amino]sulfamoyl]thiophene-2-carboxylate

C15H20N4O6S3 — CID 24563222

IUPACmethyl 3-[[[5-(diethylsulfamoyl)-2-pyridinyl]amino]sulfamoyl]thiophene-2-carboxylate
SMILESCCN(CC)S(=O)(=O)c1ccc(NNS(=O)(=O)c2ccsc2C(=O)OC)nc1
InChIInChI=1S/C15H20N4O6S3/c1-4-19(5-2)28(23,24)11-6-7-13(16-10-11)17-18-27(21,22)12-8-9-26-14(12)15(20)25-3/h6-10,18H,4-5H2,1-3H3,(H,16,17)
InChIKeySZEVPAKWYIRHOK-UHFFFAOYSA-N
MW448.55 g/mol
LogP1.27
Rot. Bonds9

About methyl 3-[[[5-(diethylsulfamoyl)-2-pyridinyl]amino]sulfamoyl]thiophene-2-carboxylate

methyl 3-[[[5-(diethylsulfamoyl)-2-pyridinyl]amino]sulfamoyl]thiophene-2-carboxylate (PubChem CID 24563222) has the molecular formula C15H20N4O6S3 and a molecular weight of 448.55 g/mol. Its IUPAC name is methyl 3-[[[5-(diethylsulfamoyl)-2-pyridinyl]amino]sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[[5-(diethylsulfamoyl)-2-pyridinyl]amino]sulfamoyl]thiophene-2-carboxylate
PubChem CID24563222
Molecular FormulaC15H20N4O6S3
Molecular Weight448.55 g/mol
Exact Mass448.05
IUPAC Namemethyl 3-[[[5-(diethylsulfamoyl)-2-pyridinyl]amino]sulfamoyl]thiophene-2-carboxylate
SMILESCCN(CC)S(=O)(=O)c1ccc(NNS(=O)(=O)c2ccsc2C(=O)OC)nc1
InChIInChI=1S/C15H20N4O6S3/c1-4-19(5-2)28(23,24)11-6-7-13(16-10-11)17-18-27(21,22)12-8-9-26-14(12)15(20)25-3/h6-10,18H,4-5H2,1-3H3,(H,16,17)
InChIKeySZEVPAKWYIRHOK-UHFFFAOYSA-N
XLogP1.27
TPSA134.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 3-[[[5-(diethylsulfamoyl)-2-pyridinyl]amino]sulfamoyl]thiophene-2-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 3-[[[5-(diethylsulfamoyl)-2-pyridinyl]amino]sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[[5-(diethylsulfamoyl)-2-pyridinyl]amino]sulfamoyl]thiophene-2-carboxylate (CID 24563222) is methyl 3-[[[5-(diethylsulfamoyl)-2-pyridinyl]amino]sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[[5-(diethylsulfamoyl)-2-pyridinyl]amino]sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[[5-(diethylsulfamoyl)-2-pyridinyl]amino]sulfamoyl]thiophene-2-carboxylate is CCN(CC)S(=O)(=O)c1ccc(NNS(=O)(=O)c2ccsc2C(=O)OC)nc1.
What is the InChIKey of methyl 3-[[[5-(diethylsulfamoyl)-2-pyridinyl]amino]sulfamoyl]thiophene-2-carboxylate?
The InChIKey is SZEVPAKWYIRHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O6S3/c1-4-19(5-2)28(23,24)11-6-7-13(16-10-11)17-18-27(21,22)12-8-9-26-14(12)15(20)25-3/h6-10,18H,4-5H2,1-3H3,(H,16,17).
What are the key properties of methyl 3-[[[5-(diethylsulfamoyl)-2-pyridinyl]amino]sulfamoyl]thiophene-2-carboxylate?
methyl 3-[[[5-(diethylsulfamoyl)-2-pyridinyl]amino]sulfamoyl]thiophene-2-carboxylate has a molecular weight of 448.55 g/mol, XLogP of 1.27, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[[5-(diethylsulfamoyl)-2-pyridinyl]amino]sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 24563222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).