N-(furan-2-ylmethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide

C19H24N2O5S — CID 1093385

IUPACN-(furan-2-ylmethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccco3)CC2)cc1C
InChIInChI=1S/C19H24N2O5S/c1-14-12-17(5-6-18(14)25-2)27(23,24)21-9-7-15(8-10-21)19(22)20-13-16-4-3-11-26-16/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,20,22)
InChIKeyKGRMRHRYXQBBBC-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.31
Rot. Bonds6

About N-(furan-2-ylmethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide

N-(furan-2-ylmethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 1093385) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID1093385
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN-(furan-2-ylmethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccco3)CC2)cc1C
InChIInChI=1S/C19H24N2O5S/c1-14-12-17(5-6-18(14)25-2)27(23,24)21-9-7-15(8-10-21)19(22)20-13-16-4-3-11-26-16/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,20,22)
InChIKeyKGRMRHRYXQBBBC-UHFFFAOYSA-N
XLogP2.31
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 1093385) is N-(furan-2-ylmethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccco3)CC2)cc1C.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is KGRMRHRYXQBBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-14-12-17(5-6-18(14)25-2)27(23,24)21-9-7-15(8-10-21)19(22)20-13-16-4-3-11-26-16/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,20,22).
What are the key properties of N-(furan-2-ylmethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-(furan-2-ylmethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1093385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).