1-(3,4-difluorophenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperidine-4-carboxamide

C20H24F2N2O5S — CID 55463061

IUPAC1-(3,4-difluorophenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperidine-4-carboxamide
SMILESO=C(NCCCOCc1ccco1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C20H24F2N2O5S/c21-18-5-4-17(13-19(18)22)30(26,27)24-9-6-15(7-10-24)20(25)23-8-2-11-28-14-16-3-1-12-29-16/h1,3-5,12-13,15H,2,6-11,14H2,(H,23,25)
InChIKeyLBFXQSMZACOPAX-UHFFFAOYSA-N
MW442.48 g/mol
LogP2.68
Rot. Bonds9

About 1-(3,4-difluorophenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperidine-4-carboxamide

1-(3,4-difluorophenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperidine-4-carboxamide (PubChem CID 55463061) has the molecular formula C20H24F2N2O5S and a molecular weight of 442.48 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperidine-4-carboxamide
PubChem CID55463061
Molecular FormulaC20H24F2N2O5S
Molecular Weight442.48 g/mol
Exact Mass442.14
IUPAC Name1-(3,4-difluorophenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperidine-4-carboxamide
SMILESO=C(NCCCOCc1ccco1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C20H24F2N2O5S/c21-18-5-4-17(13-19(18)22)30(26,27)24-9-6-15(7-10-24)20(25)23-8-2-11-28-14-16-3-1-12-29-16/h1,3-5,12-13,15H,2,6-11,14H2,(H,23,25)
InChIKeyLBFXQSMZACOPAX-UHFFFAOYSA-N
XLogP2.68
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55478702
N-(3-ethoxypropyl)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 86988855
1-(3,4-difluorophenyl)sulfonyl-N-[3-(4-fluorophenyl)sulfanylpropyl]piperidine-4-carboxamide
CID 26635658
4-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide
CID 55793914
1-(3,4-difluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 26253343
1-(4-chlorophenyl)sulfonyl-N-[3-(2-fluorophenoxy)propyl]piperidine-4-carboxamide
CID 17479995
4-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(furan-2-ylmethoxy)propyl]benzamide
CID 55471609
1-(benzenesulfonyl)-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 17442188
1-(3,4-difluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 51159101
4-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclohexane-1-carboxamide
CID 79519433
N-(3-butoxypropyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 27682716
1-(3,4-dimethylphenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 26776108

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperidine-4-carboxamide (CID 55463061) is 1-(3,4-difluorophenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperidine-4-carboxamide is O=C(NCCCOCc1ccco1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperidine-4-carboxamide?
The InChIKey is LBFXQSMZACOPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O5S/c21-18-5-4-17(13-19(18)22)30(26,27)24-9-6-15(7-10-24)20(25)23-8-2-11-28-14-16-3-1-12-29-16/h1,3-5,12-13,15H,2,6-11,14H2,(H,23,25).
What are the key properties of 1-(3,4-difluorophenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperidine-4-carboxamide?
1-(3,4-difluorophenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperidine-4-carboxamide has a molecular weight of 442.48 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 55463061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).