4-[[3-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-fluorophenoxy]methyl]-N-cyclopropylsulfonyl-3-fluorobenzamide

C26H24F2N2O5S — CID 142537202

IUPAC4-[[3-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-fluorophenoxy]methyl]-N-cyclopropylsulfonyl-3-fluorobenzamide
SMILESO=C(NS(=O)(=O)C1CC1)c1ccc(COc2ccc(F)c(-c3ccc(OCC4CC4)nc3)c2)c(F)c1
InChIInChI=1S/C26H24F2N2O5S/c27-23-9-6-20(12-22(23)18-5-10-25(29-13-18)35-14-16-1-2-16)34-15-19-4-3-17(11-24(19)28)26(31)30-36(32,33)21-7-8-21/h3-6,9-13,16,21H,1-2,7-8,14-15H2,(H,30,31)
InChIKeyQCJRHNDFUPTZCQ-UHFFFAOYSA-N
MW514.55 g/mol
LogP4.62
Rot. Bonds10

About 4-[[3-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-fluorophenoxy]methyl]-N-cyclopropylsulfonyl-3-fluorobenzamide

4-[[3-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-fluorophenoxy]methyl]-N-cyclopropylsulfonyl-3-fluorobenzamide (PubChem CID 142537202) has the molecular formula C26H24F2N2O5S and a molecular weight of 514.55 g/mol. Its IUPAC name is 4-[[3-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-fluorophenoxy]methyl]-N-cyclopropylsulfonyl-3-fluorobenzamide.

Molecular Properties

Compound Name4-[[3-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-fluorophenoxy]methyl]-N-cyclopropylsulfonyl-3-fluorobenzamide
PubChem CID142537202
Molecular FormulaC26H24F2N2O5S
Molecular Weight514.55 g/mol
Exact Mass514.14
IUPAC Name4-[[3-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-fluorophenoxy]methyl]-N-cyclopropylsulfonyl-3-fluorobenzamide
SMILESO=C(NS(=O)(=O)C1CC1)c1ccc(COc2ccc(F)c(-c3ccc(OCC4CC4)nc3)c2)c(F)c1
InChIInChI=1S/C26H24F2N2O5S/c27-23-9-6-20(12-22(23)18-5-10-25(29-13-18)35-14-16-1-2-16)34-15-19-4-3-17(11-24(19)28)26(31)30-36(32,33)21-7-8-21/h3-6,9-13,16,21H,1-2,7-8,14-15H2,(H,30,31)
InChIKeyQCJRHNDFUPTZCQ-UHFFFAOYSA-N
XLogP4.62
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.55
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[3-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-fluorophenoxy]methyl]-N-cyclopropylsulfonyl-3-fluorobenzamide with MolForge

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Related Compounds

4-[[3-[6-(cyclopentylmethoxy)-3-pyridinyl]phenoxy]methyl]-N-methylsulfonylbenzamide
CID 142537157
N-[1-[6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2-fluorophenyl]methoxy]-3-pyridinyl]ethyl]acetamide
CID 134226929
4-[[3-[3-(cyclopropylmethoxy)phenyl]-5-fluoro-5-(2-hydroxyethoxy)cyclohexa-1,3-dien-1-yl]oxymethyl]-3-fluoro-N-methylsulfonylbenzamide
CID 175026508
6-(cyclopropylmethoxy)pyridine-3-carbonyl chloride
CID 118481303
3-[3-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-2,4-difluorophenyl]-2,2-dimethylpropanamide
CID 175218053
4-[(3-chloro-4-fluorophenoxy)methyl]-3-fluorobenzoic acid
CID 63879027
6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridine-3-carboxylic acid
CID 134226939
5-chloro-2-(cyclopropylmethoxy)pyridine
CID 66234565
[3-fluoro-4-[6-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]-3-pyridinyl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 90018474
3-fluoro-4-[(4-methylphenoxy)methyl]benzoic acid
CID 63073092
4-[(3-bromo-4-fluorophenoxy)methyl]-3-fluorobenzamide
CID 83231247
3-[6-(cyclopropylmethoxy)-3-pyridinyl]-5-methylphenol
CID 142537242

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-fluorophenoxy]methyl]-N-cyclopropylsulfonyl-3-fluorobenzamide?
The IUPAC name of 4-[[3-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-fluorophenoxy]methyl]-N-cyclopropylsulfonyl-3-fluorobenzamide (CID 142537202) is 4-[[3-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-fluorophenoxy]methyl]-N-cyclopropylsulfonyl-3-fluorobenzamide.
What is the SMILES notation for 4-[[3-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-fluorophenoxy]methyl]-N-cyclopropylsulfonyl-3-fluorobenzamide?
The canonical SMILES for 4-[[3-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-fluorophenoxy]methyl]-N-cyclopropylsulfonyl-3-fluorobenzamide is O=C(NS(=O)(=O)C1CC1)c1ccc(COc2ccc(F)c(-c3ccc(OCC4CC4)nc3)c2)c(F)c1.
What is the InChIKey of 4-[[3-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-fluorophenoxy]methyl]-N-cyclopropylsulfonyl-3-fluorobenzamide?
The InChIKey is QCJRHNDFUPTZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N2O5S/c27-23-9-6-20(12-22(23)18-5-10-25(29-13-18)35-14-16-1-2-16)34-15-19-4-3-17(11-24(19)28)26(31)30-36(32,33)21-7-8-21/h3-6,9-13,16,21H,1-2,7-8,14-15H2,(H,30,31).
What are the key properties of 4-[[3-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-fluorophenoxy]methyl]-N-cyclopropylsulfonyl-3-fluorobenzamide?
4-[[3-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-fluorophenoxy]methyl]-N-cyclopropylsulfonyl-3-fluorobenzamide has a molecular weight of 514.55 g/mol, XLogP of 4.62, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-fluorophenoxy]methyl]-N-cyclopropylsulfonyl-3-fluorobenzamide is sourced from PubChem (CID 142537202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).