3-(benzenesulfonylmethyl)-N-(3-methylpiperidin-4-yl)furan-2-carboxamide

C18H22N2O4S — CID 120554526

IUPAC3-(benzenesulfonylmethyl)-N-(3-methylpiperidin-4-yl)furan-2-carboxamide
SMILESCC1CNCCC1NC(=O)c1occc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H22N2O4S/c1-13-11-19-9-7-16(13)20-18(21)17-14(8-10-24-17)12-25(22,23)15-5-3-2-4-6-15/h2-6,8,10,13,16,19H,7,9,11-12H2,1H3,(H,20,21)
InChIKeyRDLPTDYQEIRRTI-UHFFFAOYSA-N
MW362.45 g/mol
LogP1.98
Rot. Bonds5

About 3-(benzenesulfonylmethyl)-N-(3-methylpiperidin-4-yl)furan-2-carboxamide

3-(benzenesulfonylmethyl)-N-(3-methylpiperidin-4-yl)furan-2-carboxamide (PubChem CID 120554526) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-(3-methylpiperidin-4-yl)furan-2-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-(3-methylpiperidin-4-yl)furan-2-carboxamide
PubChem CID120554526
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name3-(benzenesulfonylmethyl)-N-(3-methylpiperidin-4-yl)furan-2-carboxamide
SMILESCC1CNCCC1NC(=O)c1occc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H22N2O4S/c1-13-11-19-9-7-16(13)20-18(21)17-14(8-10-24-17)12-25(22,23)15-5-3-2-4-6-15/h2-6,8,10,13,16,19H,7,9,11-12H2,1H3,(H,20,21)
InChIKeyRDLPTDYQEIRRTI-UHFFFAOYSA-N
XLogP1.98
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonylmethyl)-N-(4-methylcyclohexyl)furan-2-carboxamide
CID 51283733
3-(benzenesulfonylmethyl)-N-cyclooctylfuran-2-carboxamide
CID 51283677
[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 55467341
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-(benzenesulfonylmethyl)furan-2-yl]methanone;hydrochloride
CID 120659603
ethyl 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 35726189
3-(benzenesulfonylmethyl)-N-(4-fluorophenyl)furan-2-carboxamide
CID 34978340
N-(3-methylpiperidin-4-yl)-4-(phenylsulfamoyl)benzamide;hydrochloride
CID 120556844
2-methyl-N-[(3R,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516930
3-(diethylsulfamoyl)-N-(3-methylpiperidin-4-yl)benzamide
CID 120556196
4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557244
3-methyl-N-(4-methylpyrrolidin-3-yl)furan-2-carboxamide
CID 104826170

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-(3-methylpiperidin-4-yl)furan-2-carboxamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-(3-methylpiperidin-4-yl)furan-2-carboxamide (CID 120554526) is 3-(benzenesulfonylmethyl)-N-(3-methylpiperidin-4-yl)furan-2-carboxamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-(3-methylpiperidin-4-yl)furan-2-carboxamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-(3-methylpiperidin-4-yl)furan-2-carboxamide is CC1CNCCC1NC(=O)c1occc1CS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-(3-methylpiperidin-4-yl)furan-2-carboxamide?
The InChIKey is RDLPTDYQEIRRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-13-11-19-9-7-16(13)20-18(21)17-14(8-10-24-17)12-25(22,23)15-5-3-2-4-6-15/h2-6,8,10,13,16,19H,7,9,11-12H2,1H3,(H,20,21).
What are the key properties of 3-(benzenesulfonylmethyl)-N-(3-methylpiperidin-4-yl)furan-2-carboxamide?
3-(benzenesulfonylmethyl)-N-(3-methylpiperidin-4-yl)furan-2-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-(3-methylpiperidin-4-yl)furan-2-carboxamide is sourced from PubChem (CID 120554526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).