methyl 3-[ethyl(2-pyridin-2-ylethyl)sulfamoyl]thiophene-2-carboxylate

C15H18N2O4S2 — CID 23884715

IUPACmethyl 3-[ethyl(2-pyridin-2-ylethyl)sulfamoyl]thiophene-2-carboxylate
SMILESCCN(CCc1ccccn1)S(=O)(=O)c1ccsc1C(=O)OC
InChIInChI=1S/C15H18N2O4S2/c1-3-17(10-7-12-6-4-5-9-16-12)23(19,20)13-8-11-22-14(13)15(18)21-2/h4-6,8-9,11H,3,7,10H2,1-2H3
InChIKeyQOKLJARSLPTVGX-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.18
Rot. Bonds7

About methyl 3-[ethyl(2-pyridin-2-ylethyl)sulfamoyl]thiophene-2-carboxylate

methyl 3-[ethyl(2-pyridin-2-ylethyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 23884715) has the molecular formula C15H18N2O4S2 and a molecular weight of 354.45 g/mol. Its IUPAC name is methyl 3-[ethyl(2-pyridin-2-ylethyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[ethyl(2-pyridin-2-ylethyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID23884715
Molecular FormulaC15H18N2O4S2
Molecular Weight354.45 g/mol
Exact Mass354.07
IUPAC Namemethyl 3-[ethyl(2-pyridin-2-ylethyl)sulfamoyl]thiophene-2-carboxylate
SMILESCCN(CCc1ccccn1)S(=O)(=O)c1ccsc1C(=O)OC
InChIInChI=1S/C15H18N2O4S2/c1-3-17(10-7-12-6-4-5-9-16-12)23(19,20)13-8-11-22-14(13)15(18)21-2/h4-6,8-9,11H,3,7,10H2,1-2H3
InChIKeyQOKLJARSLPTVGX-UHFFFAOYSA-N
XLogP2.18
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[ethyl(2-pyridin-2-ylethyl)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-[ethyl(2-pyridin-2-ylethyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[ethyl(2-pyridin-2-ylethyl)sulfamoyl]thiophene-2-carboxylate (CID 23884715) is methyl 3-[ethyl(2-pyridin-2-ylethyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[ethyl(2-pyridin-2-ylethyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[ethyl(2-pyridin-2-ylethyl)sulfamoyl]thiophene-2-carboxylate is CCN(CCc1ccccn1)S(=O)(=O)c1ccsc1C(=O)OC.
What is the InChIKey of methyl 3-[ethyl(2-pyridin-2-ylethyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is QOKLJARSLPTVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S2/c1-3-17(10-7-12-6-4-5-9-16-12)23(19,20)13-8-11-22-14(13)15(18)21-2/h4-6,8-9,11H,3,7,10H2,1-2H3.
What are the key properties of methyl 3-[ethyl(2-pyridin-2-ylethyl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[ethyl(2-pyridin-2-ylethyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 354.45 g/mol, XLogP of 2.18, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl(2-pyridin-2-ylethyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 23884715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).