N-(3-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C17H20N2O3S2 — CID 2329268

IUPACN-(3-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1
InChIInChI=1S/C17H20N2O3S2/c1-13-4-2-5-15(12-13)18-17(20)14-7-9-19(10-8-14)24(21,22)16-6-3-11-23-16/h2-6,11-12,14H,7-10H2,1H3,(H,18,20)
InChIKeyXDYBDQPXSIALAZ-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.10
Rot. Bonds4

About N-(3-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-(3-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 2329268) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(3-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID2329268
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-(3-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1
InChIInChI=1S/C17H20N2O3S2/c1-13-4-2-5-15(12-13)18-17(20)14-7-9-19(10-8-14)24(21,22)16-6-3-11-23-16/h2-6,11-12,14H,7-10H2,1H3,(H,18,20)
InChIKeyXDYBDQPXSIALAZ-UHFFFAOYSA-N
XLogP3.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-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-(3-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 2329268) is N-(3-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1.
What is the InChIKey of N-(3-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is XDYBDQPXSIALAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-13-4-2-5-15(12-13)18-17(20)14-7-9-19(10-8-14)24(21,22)16-6-3-11-23-16/h2-6,11-12,14H,7-10H2,1H3,(H,18,20).
What are the key properties of N-(3-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(3-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2329268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).