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

C23H25N3O4S2 — CID 55901501

IUPACN-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccc(OCc2ccccn2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C23H25N3O4S2/c27-23(19-10-13-26(14-11-19)32(28,29)22-5-3-15-31-22)25-16-18-6-8-21(9-7-18)30-17-20-4-1-2-12-24-20/h1-9,12,15,19H,10-11,13-14,16-17H2,(H,25,27)
InChIKeyPUSVAILROUEWPJ-UHFFFAOYSA-N
MW471.60 g/mol
LogP3.44
Rot. Bonds8

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

N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 55901501) has the molecular formula C23H25N3O4S2 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID55901501
Molecular FormulaC23H25N3O4S2
Molecular Weight471.60 g/mol
Exact Mass471.13
IUPAC NameN-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccc(OCc2ccccn2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C23H25N3O4S2/c27-23(19-10-13-26(14-11-19)32(28,29)22-5-3-15-31-22)25-16-18-6-8-21(9-7-18)30-17-20-4-1-2-12-24-20/h1-9,12,15,19H,10-11,13-14,16-17H2,(H,25,27)
InChIKeyPUSVAILROUEWPJ-UHFFFAOYSA-N
XLogP3.44
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 55901501) is N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is O=C(NCc1ccc(OCc2ccccn2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is PUSVAILROUEWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S2/c27-23(19-10-13-26(14-11-19)32(28,29)22-5-3-15-31-22)25-16-18-6-8-21(9-7-18)30-17-20-4-1-2-12-24-20/h1-9,12,15,19H,10-11,13-14,16-17H2,(H,25,27).
What are the key properties of N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 471.60 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55901501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).