N-[2-(N-ethylanilino)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide

C25H30N4O3S — CID 5309142

IUPACN-[2-(N-ethylanilino)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
SMILESCCN(CCNC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1)c1ccccc1
InChIInChI=1S/C25H30N4O3S/c1-2-28(22-10-4-3-5-11-22)19-16-27-25(30)21-13-17-29(18-14-21)33(31,32)23-12-6-8-20-9-7-15-26-24(20)23/h3-12,15,21H,2,13-14,16-19H2,1H3,(H,27,30)
InChIKeyHKCMNXXSODSIIC-UHFFFAOYSA-N
MW466.61 g/mol
LogP3.28
Rot. Bonds8

About N-[2-(N-ethylanilino)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide

N-[2-(N-ethylanilino)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide (PubChem CID 5309142) has the molecular formula C25H30N4O3S and a molecular weight of 466.61 g/mol. Its IUPAC name is N-[2-(N-ethylanilino)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(N-ethylanilino)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
PubChem CID5309142
Molecular FormulaC25H30N4O3S
Molecular Weight466.61 g/mol
Exact Mass466.20
IUPAC NameN-[2-(N-ethylanilino)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
SMILESCCN(CCNC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1)c1ccccc1
InChIInChI=1S/C25H30N4O3S/c1-2-28(22-10-4-3-5-11-22)19-16-27-25(30)21-13-17-29(18-14-21)33(31,32)23-12-6-8-20-9-7-15-26-24(20)23/h3-12,15,21H,2,13-14,16-19H2,1H3,(H,27,30)
InChIKeyHKCMNXXSODSIIC-UHFFFAOYSA-N
XLogP3.28
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Mitapivat
CID 59634741
Ssr-182289
CID 10304095
N-(4-((8-Quinolinylamino)sulfonyl)phenyl)acetamide
CID 788569
N-(4-isopropylphenyl)quinoline-8-sulfonamide
CID 4093866
(S)-N-(2,5-dimethylphenyl)-1-(quinolin-8-ylsulfonyl)pyrrolidine-2-carboxamide
CID 49842897
8-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)quinoline
CID 2870276
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 4877448
N-allyl-N-phenylquinoline-8-sulfonamide
CID 6621373
[4-(2-Fluorophenyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanone
CID 5308986
N-[2-(4-fluorophenyl)ethyl]-8-quinolinesulfonamide
CID 16189761
N-{4-[4-(2-Methyl-quinolin-4-yl)-piperazine-1-sulfonyl]-phenyl}-acetamide
CID 651482
8-(4-Methylpiperazin-1-yl)sulfonylquinoline
CID 671587

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethylanilino)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(N-ethylanilino)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide (CID 5309142) is N-[2-(N-ethylanilino)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(N-ethylanilino)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(N-ethylanilino)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide is CCN(CCNC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1)c1ccccc1.
What is the InChIKey of N-[2-(N-ethylanilino)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is HKCMNXXSODSIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3S/c1-2-28(22-10-4-3-5-11-22)19-16-27-25(30)21-13-17-29(18-14-21)33(31,32)23-12-6-8-20-9-7-15-26-24(20)23/h3-12,15,21H,2,13-14,16-19H2,1H3,(H,27,30).
What are the key properties of N-[2-(N-ethylanilino)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
N-[2-(N-ethylanilino)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 466.61 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethylanilino)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 5309142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).