N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide

C18H22N2O5S — CID 1081777

IUPACN-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccco3)CC2)cc1
InChIInChI=1S/C18H22N2O5S/c1-24-15-4-6-17(7-5-15)26(22,23)20-10-8-14(9-11-20)18(21)19-13-16-3-2-12-25-16/h2-7,12,14H,8-11,13H2,1H3,(H,19,21)
InChIKeyQNJYDOHYKHNQJM-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.01
Rot. Bonds6

About N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide

N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 1081777) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID1081777
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC NameN-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccco3)CC2)cc1
InChIInChI=1S/C18H22N2O5S/c1-24-15-4-6-17(7-5-15)26(22,23)20-10-8-14(9-11-20)18(21)19-13-16-3-2-12-25-16/h2-7,12,14H,8-11,13H2,1H3,(H,19,21)
InChIKeyQNJYDOHYKHNQJM-UHFFFAOYSA-N
XLogP2.01
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide (CID 1081777) is N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccco3)CC2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is QNJYDOHYKHNQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-24-15-4-6-17(7-5-15)26(22,23)20-10-8-14(9-11-20)18(21)19-13-16-3-2-12-25-16/h2-7,12,14H,8-11,13H2,1H3,(H,19,21).
What are the key properties of N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 2.01, 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-methoxyphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1081777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).