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

C18H17N3O3S2 — CID 11617981

IUPAC5-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccc(-c3ccncc3)s2)cc1
InChIInChI=1S/C18H17N3O3S2/c19-26(23,24)15-3-1-13(2-4-15)7-12-21-18(22)17-6-5-16(25-17)14-8-10-20-11-9-14/h1-6,8-11H,7,12H2,(H,21,22)(H2,19,23,24)
InChIKeyYVBHBVUKUXMPSP-UHFFFAOYSA-N
MW387.49 g/mol
LogP2.43
Rot. Bonds6

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

5-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 11617981) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 5-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
PubChem CID11617981
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC Name5-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccc(-c3ccncc3)s2)cc1
InChIInChI=1S/C18H17N3O3S2/c19-26(23,24)15-3-1-13(2-4-15)7-12-21-18(22)17-6-5-16(25-17)14-8-10-20-11-9-14/h1-6,8-11H,7,12H2,(H,21,22)(H2,19,23,24)
InChIKeyYVBHBVUKUXMPSP-UHFFFAOYSA-N
XLogP2.43
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 52.43
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-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide (CID 11617981) is 5-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(-c3ccncc3)s2)cc1.
What is the InChIKey of 5-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is YVBHBVUKUXMPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c19-26(23,24)15-3-1-13(2-4-15)7-12-21-18(22)17-6-5-16(25-17)14-8-10-20-11-9-14/h1-6,8-11H,7,12H2,(H,21,22)(H2,19,23,24).
What are the key properties of 5-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide?
5-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 2.43, 6 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-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 11617981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).