3-(3-ethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide

C20H26N2O4S — CID 55654720

IUPAC3-(3-ethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
SMILESCCC1CCCN(C(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2C)C1
InChIInChI=1S/C20H26N2O4S/c1-3-16-6-4-10-22(14-16)20(23)19-12-18(9-8-15(19)2)27(24,25)21-13-17-7-5-11-26-17/h5,7-9,11-12,16,21H,3-4,6,10,13-14H2,1-2H3
InChIKeyQPHMSVYZCFRBQM-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.33
Rot. Bonds6

About 3-(3-ethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide

3-(3-ethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide (PubChem CID 55654720) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 3-(3-ethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(3-ethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
PubChem CID55654720
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name3-(3-ethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
SMILESCCC1CCCN(C(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2C)C1
InChIInChI=1S/C20H26N2O4S/c1-3-16-6-4-10-22(14-16)20(23)19-12-18(9-8-15(19)2)27(24,25)21-13-17-7-5-11-26-17/h5,7-9,11-12,16,21H,3-4,6,10,13-14H2,1-2H3
InChIKeyQPHMSVYZCFRBQM-UHFFFAOYSA-N
XLogP3.33
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 6458669
3-(3-ethylpiperidine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 55654984
N-(furan-2-ylmethyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109064445
1-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 55601232
N-(2-methoxyethyl)-4-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119394953
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 55628988
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 55981661
N-ethyl-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 27658634
4-bromo-N-cyclopropyl-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 55654688
3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 43002494
5-(furan-2-ylmethylsulfamoyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 46446715
tert-butyl N-[[(3S)-1-[5-(ethylsulfamoyl)-2-methylbenzoyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 51963405

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-(3-ethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide (CID 55654720) is 3-(3-ethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-(3-ethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-(3-ethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide is CCC1CCCN(C(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2C)C1.
What is the InChIKey of 3-(3-ethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide?
The InChIKey is QPHMSVYZCFRBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-3-16-6-4-10-22(14-16)20(23)19-12-18(9-8-15(19)2)27(24,25)21-13-17-7-5-11-26-17/h5,7-9,11-12,16,21H,3-4,6,10,13-14H2,1-2H3.
What are the key properties of 3-(3-ethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide?
3-(3-ethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 55654720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).