N-(2,3-dihydroxypropyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide

C10H12N2O5S3 — CID 14700208

IUPACN-(2,3-dihydroxypropyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide
SMILESNS(=O)(=O)c1cc2cc(C(=O)NCC(O)CO)sc2s1
InChIInChI=1S/C10H12N2O5S3/c11-20(16,17)8-2-5-1-7(18-10(5)19-8)9(15)12-3-6(14)4-13/h1-2,6,13-14H,3-4H2,(H,12,15)(H2,11,16,17)
InChIKeyHCUVEKKNJNJSOJ-UHFFFAOYSA-N
MW336.42 g/mol
LogP-0.31
Rot. Bonds5

About N-(2,3-dihydroxypropyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide

N-(2,3-dihydroxypropyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide (PubChem CID 14700208) has the molecular formula C10H12N2O5S3 and a molecular weight of 336.42 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide
PubChem CID14700208
Molecular FormulaC10H12N2O5S3
Molecular Weight336.42 g/mol
Exact Mass335.99
IUPAC NameN-(2,3-dihydroxypropyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide
SMILESNS(=O)(=O)c1cc2cc(C(=O)NCC(O)CO)sc2s1
InChIInChI=1S/C10H12N2O5S3/c11-20(16,17)8-2-5-1-7(18-10(5)19-8)9(15)12-3-6(14)4-13/h1-2,6,13-14H,3-4H2,(H,12,15)(H2,11,16,17)
InChIKeyHCUVEKKNJNJSOJ-UHFFFAOYSA-N
XLogP-0.31
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-(2,3-dihydroxypropyl)-5-sulfamoylthieno[2,3-b]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 N-(2,3-dihydroxypropyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide (CID 14700208) is N-(2,3-dihydroxypropyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide is NS(=O)(=O)c1cc2cc(C(=O)NCC(O)CO)sc2s1.
What is the InChIKey of N-(2,3-dihydroxypropyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide?
The InChIKey is HCUVEKKNJNJSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5S3/c11-20(16,17)8-2-5-1-7(18-10(5)19-8)9(15)12-3-6(14)4-13/h1-2,6,13-14H,3-4H2,(H,12,15)(H2,11,16,17).
What are the key properties of N-(2,3-dihydroxypropyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide?
N-(2,3-dihydroxypropyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide has a molecular weight of 336.42 g/mol, XLogP of -0.31, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide is sourced from PubChem (CID 14700208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).