N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C24H27N3O4S2 — CID 55901103

IUPACN-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1cccc(OCc2ccccn2)c1
InChIInChI=1S/C24H27N3O4S2/c1-18(20-6-4-8-22(16-20)31-17-21-7-2-3-12-25-21)26-24(28)19-10-13-27(14-11-19)33(29,30)23-9-5-15-32-23/h2-9,12,15-16,18-19H,10-11,13-14,17H2,1H3,(H,26,28)
InChIKeyPFYCSZBUBOVKJM-UHFFFAOYSA-N
MW485.63 g/mol
LogP4.00
Rot. Bonds8

About N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 55901103) has the molecular formula C24H27N3O4S2 and a molecular weight of 485.63 g/mol. Its IUPAC name is N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID55901103
Molecular FormulaC24H27N3O4S2
Molecular Weight485.63 g/mol
Exact Mass485.14
IUPAC NameN-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1cccc(OCc2ccccn2)c1
InChIInChI=1S/C24H27N3O4S2/c1-18(20-6-4-8-22(16-20)31-17-21-7-2-3-12-25-21)26-24(28)19-10-13-27(14-11-19)33(29,30)23-9-5-15-32-23/h2-9,12,15-16,18-19H,10-11,13-14,17H2,1H3,(H,26,28)
InChIKeyPFYCSZBUBOVKJM-UHFFFAOYSA-N
XLogP4.00
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-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-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 55901103) is N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is CC(NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1cccc(OCc2ccccn2)c1.
What is the InChIKey of N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is PFYCSZBUBOVKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S2/c1-18(20-6-4-8-22(16-20)31-17-21-7-2-3-12-25-21)26-24(28)19-10-13-27(14-11-19)33(29,30)23-9-5-15-32-23/h2-9,12,15-16,18-19H,10-11,13-14,17H2,1H3,(H,26,28).
What are the key properties of N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 485.63 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55901103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).