N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide

C20H21N3O4S — CID 5307421

IUPACN-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NCc1ccco1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C20H21N3O4S/c24-20(22-13-17-8-4-12-27-17)16-7-3-11-23(14-16)28(25,26)18-9-1-5-15-6-2-10-21-19(15)18/h1-2,4-6,8-10,12,16H,3,7,11,13-14H2,(H,22,24)
InChIKeySKJRXRLQRXDECP-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.54
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide

N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide (PubChem CID 5307421) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
PubChem CID5307421
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NCc1ccco1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C20H21N3O4S/c24-20(22-13-17-8-4-12-27-17)16-7-3-11-23(14-16)28(25,26)18-9-1-5-15-6-2-10-21-19(15)18/h1-2,4-6,8-10,12,16H,3,7,11,13-14H2,(H,22,24)
InChIKeySKJRXRLQRXDECP-UHFFFAOYSA-N
XLogP2.54
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-8-[[3-(furan-2-ylmethylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide
CID 126599624
N-(2-furylmethyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 757630
N-(2-furylmethyl)-2-(8-quinolylthio)acetamide
CID 2306374
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-2-carboxamide
CID 2576894
N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
CID 5307160
N-(3-methoxyphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
CID 5307253
N-(furan-2-ylmethyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide
CID 5308004
N-(furan-2-ylmethyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 5309600
N-[(5-methyl-2-furyl)methyl]-3-[1-(quinolin-5-ylmethyl)piperidin-3-yl]propanamide
CID 16187718
N-[(5-methyl-2-furyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide
CID 16188911
N-(furan-2-ylmethyl)-8-[[4-(furan-2-ylmethylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-4-carboxamide
CID 90112401
N-[2-(furan-2-yl)ethyl]-8-[[3-[2-(furan-2-yl)ethylcarbamoyl]quinolin-8-yl]disulfanyl]quinoline-3-carboxamide
CID 126599621

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide (CID 5307421) is N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide is O=C(NCc1ccco1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is SKJRXRLQRXDECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c24-20(22-13-17-8-4-12-27-17)16-7-3-11-23(14-16)28(25,26)18-9-1-5-15-6-2-10-21-19(15)18/h1-2,4-6,8-10,12,16H,3,7,11,13-14H2,(H,22,24).
What are the key properties of N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 5307421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).