N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide

C19H24N2O4S — CID 4883203

IUPACN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NCC(c2ccco2)N2CCCCC2)cc1
InChIInChI=1S/C19H24N2O4S/c1-26(23,24)16-9-7-15(8-10-16)19(22)20-14-17(18-6-5-13-25-18)21-11-3-2-4-12-21/h5-10,13,17H,2-4,11-12,14H2,1H3,(H,20,22)
InChIKeyRYOZNPDHKUDYOK-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.64
Rot. Bonds6

About N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide (PubChem CID 4883203) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide
PubChem CID4883203
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NCC(c2ccco2)N2CCCCC2)cc1
InChIInChI=1S/C19H24N2O4S/c1-26(23,24)16-9-7-15(8-10-16)19(22)20-14-17(18-6-5-13-25-18)21-11-3-2-4-12-21/h5-10,13,17H,2-4,11-12,14H2,1H3,(H,20,22)
InChIKeyRYOZNPDHKUDYOK-UHFFFAOYSA-N
XLogP2.64
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dimethylsulfamoyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 7719507
4-acetamido-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 40804110
4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7944545
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 26834301
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 4807751
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 26834257
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 46809468
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-3-[(4-methylsulfonylphenyl)methyl]guanidine;hydroiodide
CID 111304294
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 24542498
4-tert-butyl-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 55347489

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide?
The IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide (CID 4883203) is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)NCC(c2ccco2)N2CCCCC2)cc1.
What is the InChIKey of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide?
The InChIKey is RYOZNPDHKUDYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-26(23,24)16-9-7-15(8-10-16)19(22)20-14-17(18-6-5-13-25-18)21-11-3-2-4-12-21/h5-10,13,17H,2-4,11-12,14H2,1H3,(H,20,22).
What are the key properties of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide?
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide has a molecular weight of 376.48 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide is sourced from PubChem (CID 4883203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).