N-ethyl-N-(pyridin-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C18H23N3O3S2 — CID 2356521

IUPACN-ethyl-N-(pyridin-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C18H23N3O3S2/c1-2-20(14-15-5-9-19-10-6-15)18(22)16-7-11-21(12-8-16)26(23,24)17-4-3-13-25-17/h3-6,9-10,13,16H,2,7-8,11-12,14H2,1H3
InChIKeyCDOBSJGYXLOJTD-UHFFFAOYSA-N
MW393.53 g/mol
LogP2.59
Rot. Bonds6

About N-ethyl-N-(pyridin-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-ethyl-N-(pyridin-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 2356521) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-ethyl-N-(pyridin-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(pyridin-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID2356521
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC NameN-ethyl-N-(pyridin-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C18H23N3O3S2/c1-2-20(14-15-5-9-19-10-6-15)18(22)16-7-11-21(12-8-16)26(23,24)17-4-3-13-25-17/h3-6,9-10,13,16H,2,7-8,11-12,14H2,1H3
InChIKeyCDOBSJGYXLOJTD-UHFFFAOYSA-N
XLogP2.59
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(pyridin-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-ethyl-N-(pyridin-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 2356521) is N-ethyl-N-(pyridin-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-(pyridin-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-ethyl-N-(pyridin-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is CCN(Cc1ccncc1)C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-ethyl-N-(pyridin-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is CDOBSJGYXLOJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c1-2-20(14-15-5-9-19-10-6-15)18(22)16-7-11-21(12-8-16)26(23,24)17-4-3-13-25-17/h3-6,9-10,13,16H,2,7-8,11-12,14H2,1H3.
What are the key properties of N-ethyl-N-(pyridin-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-ethyl-N-(pyridin-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(pyridin-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2356521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).