N-(furan-2-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide

C18H22N2O4S — CID 2335111

IUPACN-(furan-2-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H22N2O4S/c1-14-7-8-15(18(21)19-13-16-6-5-11-24-16)12-17(14)25(22,23)20-9-3-2-4-10-20/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,19,21)
InChIKeyZHLDFJCYNCJBSW-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.69
Rot. Bonds5

About N-(furan-2-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide

N-(furan-2-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 2335111) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID2335111
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-(furan-2-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H22N2O4S/c1-14-7-8-15(18(21)19-13-16-6-5-11-24-16)12-17(14)25(22,23)20-9-3-2-4-10-20/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,19,21)
InChIKeyZHLDFJCYNCJBSW-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1379220
N-benzyl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1331917
5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methylbenzamide
CID 53281766
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 24532563
1-(2,5-dimethylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 47090075
2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]acetate
CID 4104639
N-[(3-fluorophenyl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 55577453
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-methyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99968690
N-(furan-2-ylmethyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide
CID 20965247
3-(azepan-1-ylsulfonyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 7357086
N-hexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8886322
N-(furan-2-ylmethyl)-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 1251601

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide (CID 2335111) is N-(furan-2-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide is Cc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is ZHLDFJCYNCJBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-14-7-8-15(18(21)19-13-16-6-5-11-24-16)12-17(14)25(22,23)20-9-3-2-4-10-20/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,19,21).
What are the key properties of N-(furan-2-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
N-(furan-2-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 362.45 g/mol, XLogP of 2.69, 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-methyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2335111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).