N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiadiazole-5-carboxamide

C9H10N4O3S3 — CID 47298155

IUPACN-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiadiazole-5-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cnns2)s1
InChIInChI=1S/C9H10N4O3S3/c10-19(15,16)8-2-1-6(17-8)3-4-11-9(14)7-5-12-13-18-7/h1-2,5H,3-4H2,(H,11,14)(H2,10,15,16)
InChIKeyXTTSSWMHTRJIBT-UHFFFAOYSA-N
MW318.41 g/mol
LogP0.22
Rot. Bonds5

About N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiadiazole-5-carboxamide

N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiadiazole-5-carboxamide (PubChem CID 47298155) has the molecular formula C9H10N4O3S3 and a molecular weight of 318.41 g/mol. Its IUPAC name is N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiadiazole-5-carboxamide
PubChem CID47298155
Molecular FormulaC9H10N4O3S3
Molecular Weight318.41 g/mol
Exact Mass317.99
IUPAC NameN-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiadiazole-5-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cnns2)s1
InChIInChI=1S/C9H10N4O3S3/c10-19(15,16)8-2-1-6(17-8)3-4-11-9(14)7-5-12-13-18-7/h1-2,5H,3-4H2,(H,11,14)(H2,10,15,16)
InChIKeyXTTSSWMHTRJIBT-UHFFFAOYSA-N
XLogP0.22
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiadiazole-5-carboxamide?
The IUPAC name of N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiadiazole-5-carboxamide (CID 47298155) is N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiadiazole-5-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2cnns2)s1.
What is the InChIKey of N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiadiazole-5-carboxamide?
The InChIKey is XTTSSWMHTRJIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3S3/c10-19(15,16)8-2-1-6(17-8)3-4-11-9(14)7-5-12-13-18-7/h1-2,5H,3-4H2,(H,11,14)(H2,10,15,16).
What are the key properties of N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiadiazole-5-carboxamide?
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiadiazole-5-carboxamide has a molecular weight of 318.41 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 47298155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).