2,6-difluoro-N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]benzamide

C20H17F2NO5S — CID 20962895

IUPAC2,6-difluoro-N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]benzamide
SMILESCOc1ccc(S(=O)(=O)C(CNC(=O)c2c(F)cccc2F)c2ccco2)cc1
InChIInChI=1S/C20H17F2NO5S/c1-27-13-7-9-14(10-8-13)29(25,26)18(17-6-3-11-28-17)12-23-20(24)19-15(21)4-2-5-16(19)22/h2-11,18H,12H2,1H3,(H,23,24)
InChIKeyPZFYAYCUOXXCRF-UHFFFAOYSA-N
MW421.42 g/mol
LogP3.51
Rot. Bonds7

About 2,6-difluoro-N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]benzamide

2,6-difluoro-N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]benzamide (PubChem CID 20962895) has the molecular formula C20H17F2NO5S and a molecular weight of 421.42 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]benzamide
PubChem CID20962895
Molecular FormulaC20H17F2NO5S
Molecular Weight421.42 g/mol
Exact Mass421.08
IUPAC Name2,6-difluoro-N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]benzamide
SMILESCOc1ccc(S(=O)(=O)C(CNC(=O)c2c(F)cccc2F)c2ccco2)cc1
InChIInChI=1S/C20H17F2NO5S/c1-27-13-7-9-14(10-8-13)29(25,26)18(17-6-3-11-28-17)12-23-20(24)19-15(21)4-2-5-16(19)22/h2-11,18H,12H2,1H3,(H,23,24)
InChIKeyPZFYAYCUOXXCRF-UHFFFAOYSA-N
XLogP3.51
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[(2S)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]furan-2-carboxamide
CID 26792715
N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]cyclopropanecarboxamide
CID 110315102
N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-fluorobenzamide
CID 22584447
N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 40774997
N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-methoxybenzamide
CID 7268107
2,6-difluoro-N-[2-(furan-2-yl)-2-methoxyethyl]benzamide
CID 121145483
N-[(2R)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]adamantane-1-carboxamide
CID 26792762
N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
CID 110315127
N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]oxolane-2-carboxamide
CID 110315105
2-[2-(dimethylsulfamoylamino)-1-(4-methoxyphenyl)sulfonylethyl]furan
CID 110315122
N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 40775081
4-fluoro-N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]benzamide
CID 7268088

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]benzamide (CID 20962895) is 2,6-difluoro-N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]benzamide is COc1ccc(S(=O)(=O)C(CNC(=O)c2c(F)cccc2F)c2ccco2)cc1.
What is the InChIKey of 2,6-difluoro-N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]benzamide?
The InChIKey is PZFYAYCUOXXCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO5S/c1-27-13-7-9-14(10-8-13)29(25,26)18(17-6-3-11-28-17)12-23-20(24)19-15(21)4-2-5-16(19)22/h2-11,18H,12H2,1H3,(H,23,24).
What are the key properties of 2,6-difluoro-N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]benzamide?
2,6-difluoro-N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]benzamide has a molecular weight of 421.42 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]benzamide is sourced from PubChem (CID 20962895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).