5-pyridin-4-yl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-carboxamide

C17H15N3O3S2 — CID 11581557

IUPAC5-pyridin-4-yl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3ccncc3)s2)cc1
InChIInChI=1S/C17H15N3O3S2/c18-25(22,23)14-3-1-12(2-4-14)11-20-17(21)16-6-5-15(24-16)13-7-9-19-10-8-13/h1-10H,11H2,(H,20,21)(H2,18,22,23)
InChIKeyUVLAANGIDYTLBC-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.39
Rot. Bonds5

About 5-pyridin-4-yl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-carboxamide

5-pyridin-4-yl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-carboxamide (PubChem CID 11581557) has the molecular formula C17H15N3O3S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 5-pyridin-4-yl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-pyridin-4-yl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-carboxamide
PubChem CID11581557
Molecular FormulaC17H15N3O3S2
Molecular Weight373.46 g/mol
Exact Mass373.06
IUPAC Name5-pyridin-4-yl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3ccncc3)s2)cc1
InChIInChI=1S/C17H15N3O3S2/c18-25(22,23)14-3-1-12(2-4-14)11-20-17(21)16-6-5-15(24-16)13-7-9-19-10-8-13/h1-10H,11H2,(H,20,21)(H2,18,22,23)
InChIKeyUVLAANGIDYTLBC-UHFFFAOYSA-N
XLogP2.39
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-pyridin-4-yl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-carboxamide (CID 11581557) is 5-pyridin-4-yl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-pyridin-4-yl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-pyridin-4-yl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3ccncc3)s2)cc1.
What is the InChIKey of 5-pyridin-4-yl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is UVLAANGIDYTLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S2/c18-25(22,23)14-3-1-12(2-4-14)11-20-17(21)16-6-5-15(24-16)13-7-9-19-10-8-13/h1-10H,11H2,(H,20,21)(H2,18,22,23).
What are the key properties of 5-pyridin-4-yl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-carboxamide?
5-pyridin-4-yl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-yl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 11581557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).