1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

C20H21N3O3S2 — CID 5308292

IUPAC1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccs1)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C20H21N3O3S2/c24-20(22-14-17-6-3-13-27-17)16-8-11-23(12-9-16)28(25,26)18-7-1-4-15-5-2-10-21-19(15)18/h1-7,10,13,16H,8-9,11-12,14H2,(H,22,24)
InChIKeyUZPOUZNXILWZME-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.01
Rot. Bonds5

About 1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 5308292) has the molecular formula C20H21N3O3S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID5308292
Molecular FormulaC20H21N3O3S2
Molecular Weight415.54 g/mol
Exact Mass415.10
IUPAC Name1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccs1)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C20H21N3O3S2/c24-20(22-14-17-6-3-13-27-17)16-8-11-23(12-9-16)28(25,26)18-7-1-4-15-5-2-10-21-19(15)18/h1-7,10,13,16H,8-9,11-12,14H2,(H,22,24)
InChIKeyUZPOUZNXILWZME-UHFFFAOYSA-N
XLogP3.01
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 5308292) is 1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1cccs1)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of 1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is UZPOUZNXILWZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S2/c24-20(22-14-17-6-3-13-27-17)16-8-11-23(12-9-16)28(25,26)18-7-1-4-15-5-2-10-21-19(15)18/h1-7,10,13,16H,8-9,11-12,14H2,(H,22,24).
What are the key properties of 1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 5308292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).