2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide

C17H19N3O4S2 — CID 2501747

IUPAC2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H19N3O4S2/c18-15(21)14-8-11-25-17(14)19-16(22)12-4-6-13(7-5-12)26(23,24)20-9-2-1-3-10-20/h4-8,11H,1-3,9-10H2,(H2,18,21)(H,19,22)
InChIKeyQCMGFWVZIVDQKD-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.27
Rot. Bonds5

About 2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide

2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide (PubChem CID 2501747) has the molecular formula C17H19N3O4S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide
PubChem CID2501747
Molecular FormulaC17H19N3O4S2
Molecular Weight393.49 g/mol
Exact Mass393.08
IUPAC Name2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H19N3O4S2/c18-15(21)14-8-11-25-17(14)19-16(22)12-4-6-13(7-5-12)26(23,24)20-9-2-1-3-10-20/h4-8,11H,1-3,9-10H2,(H2,18,21)(H,19,22)
InChIKeyQCMGFWVZIVDQKD-UHFFFAOYSA-N
XLogP2.27
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thiophene-3-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 2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide?
The IUPAC name of 2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide (CID 2501747) is 2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide?
The InChIKey is QCMGFWVZIVDQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S2/c18-15(21)14-8-11-25-17(14)19-16(22)12-4-6-13(7-5-12)26(23,24)20-9-2-1-3-10-20/h4-8,11H,1-3,9-10H2,(H2,18,21)(H,19,22).
What are the key properties of 2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide?
2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 2501747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).