N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

C18H22N2O4S — CID 1044182

IUPACN-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)NCc3ccco3)cc2)CC1
InChIInChI=1S/C18H22N2O4S/c1-14-8-10-20(11-9-14)25(22,23)17-6-4-15(5-7-17)18(21)19-13-16-3-2-12-24-16/h2-7,12,14H,8-11,13H2,1H3,(H,19,21)
InChIKeyQNYLUDDTSQMOHF-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.63
Rot. Bonds5

About N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 1044182) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID1044182
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)NCc3ccco3)cc2)CC1
InChIInChI=1S/C18H22N2O4S/c1-14-8-10-20(11-9-14)25(22,23)17-6-4-15(5-7-17)18(21)19-13-16-3-2-12-24-16/h2-7,12,14H,8-11,13H2,1H3,(H,19,21)
InChIKeyQNYLUDDTSQMOHF-UHFFFAOYSA-N
XLogP2.63
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-formylpiperazin-1-yl)sulfonyl-N-(furan-2-ylmethyl)benzamide
CID 19258176
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 8501899
N-[(2-chlorophenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 26692000
N-(furan-2-ylmethyl)-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 109060522
N-[(3,5-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46586668
N-(furan-2-ylmethyl)-4-sulfamoylbenzamide
CID 10356308
4-(4-methylpiperidin-1-yl)sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55754023
N-(furan-2-ylmethyl)-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003913
N-[2-(ethylamino)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119504648
N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 46014684
N-(furan-2-ylmethyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 4095522
4-(4-methylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 8884155

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 1044182) is N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is CC1CCN(S(=O)(=O)c2ccc(C(=O)NCc3ccco3)cc2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is QNYLUDDTSQMOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-14-8-10-20(11-9-14)25(22,23)17-6-4-15(5-7-17)18(21)19-13-16-3-2-12-24-16/h2-7,12,14H,8-11,13H2,1H3,(H,19,21).
What are the key properties of N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 362.45 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 1044182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).