4-[[3-[6-(cyclopropylmethoxy)-5-methylpyrimidin-4-yl]-5-fluorophenoxy]methyl]-N-methylsulfonylbenzamide

C24H24FN3O5S — CID 142537189

IUPAC4-[[3-[6-(cyclopropylmethoxy)-5-methylpyrimidin-4-yl]-5-fluorophenoxy]methyl]-N-methylsulfonylbenzamide
SMILESCc1c(OCC2CC2)ncnc1-c1cc(F)cc(OCc2ccc(C(=O)NS(C)(=O)=O)cc2)c1
InChIInChI=1S/C24H24FN3O5S/c1-15-22(26-14-27-24(15)33-13-16-3-4-16)19-9-20(25)11-21(10-19)32-12-17-5-7-18(8-6-17)23(29)28-34(2,30)31/h5-11,14,16H,3-4,12-13H2,1-2H3,(H,28,29)
InChIKeyVKJWLAHDGLPERK-UHFFFAOYSA-N
MW485.54 g/mol
LogP3.65
Rot. Bonds9

About 4-[[3-[6-(cyclopropylmethoxy)-5-methylpyrimidin-4-yl]-5-fluorophenoxy]methyl]-N-methylsulfonylbenzamide

4-[[3-[6-(cyclopropylmethoxy)-5-methylpyrimidin-4-yl]-5-fluorophenoxy]methyl]-N-methylsulfonylbenzamide (PubChem CID 142537189) has the molecular formula C24H24FN3O5S and a molecular weight of 485.54 g/mol. Its IUPAC name is 4-[[3-[6-(cyclopropylmethoxy)-5-methylpyrimidin-4-yl]-5-fluorophenoxy]methyl]-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-[[3-[6-(cyclopropylmethoxy)-5-methylpyrimidin-4-yl]-5-fluorophenoxy]methyl]-N-methylsulfonylbenzamide
PubChem CID142537189
Molecular FormulaC24H24FN3O5S
Molecular Weight485.54 g/mol
Exact Mass485.14
IUPAC Name4-[[3-[6-(cyclopropylmethoxy)-5-methylpyrimidin-4-yl]-5-fluorophenoxy]methyl]-N-methylsulfonylbenzamide
SMILESCc1c(OCC2CC2)ncnc1-c1cc(F)cc(OCc2ccc(C(=O)NS(C)(=O)=O)cc2)c1
InChIInChI=1S/C24H24FN3O5S/c1-15-22(26-14-27-24(15)33-13-16-3-4-16)19-9-20(25)11-21(10-19)32-12-17-5-7-18(8-6-17)23(29)28-34(2,30)31/h5-11,14,16H,3-4,12-13H2,1-2H3,(H,28,29)
InChIKeyVKJWLAHDGLPERK-UHFFFAOYSA-N
XLogP3.65
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[3-[6-(cyclopentylmethoxy)-3-pyridinyl]phenoxy]methyl]-N-methylsulfonylbenzamide
CID 142537157
3-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
CID 146154395
formic acid;N-methylsulfonyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]benzamide
CID 162183352
4-[(3-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
CID 56644738
4-[4-[(1-acetylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-methylsulfonylbenzamide
CID 146308457
N-[[4-[(4-methoxyphenoxy)methyl]cyclohexyl]methyl]-4-phenylmethoxybenzamide
CID 58923644
N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide
CID 146154896
4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-methoxybenzamide
CID 87511779
4-[[3-[3-(cyclopropylmethoxy)phenyl]-5-fluoro-5-(2-hydroxyethoxy)cyclohexa-1,3-dien-1-yl]oxymethyl]-3-fluoro-N-methylsulfonylbenzamide
CID 175026508
1-fluoro-3-[(4-fluorophenyl)methoxy]-5-methylbenzene
CID 143178239
5-cyclopropyl-2-fluoro-4-[(4-methylcyclohexyl)methoxy]-N-methylsulfonylbenzamide
CID 91809419
2-methyl-N-methylsulfonyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379631

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[6-(cyclopropylmethoxy)-5-methylpyrimidin-4-yl]-5-fluorophenoxy]methyl]-N-methylsulfonylbenzamide?
The IUPAC name of 4-[[3-[6-(cyclopropylmethoxy)-5-methylpyrimidin-4-yl]-5-fluorophenoxy]methyl]-N-methylsulfonylbenzamide (CID 142537189) is 4-[[3-[6-(cyclopropylmethoxy)-5-methylpyrimidin-4-yl]-5-fluorophenoxy]methyl]-N-methylsulfonylbenzamide.
What is the SMILES notation for 4-[[3-[6-(cyclopropylmethoxy)-5-methylpyrimidin-4-yl]-5-fluorophenoxy]methyl]-N-methylsulfonylbenzamide?
The canonical SMILES for 4-[[3-[6-(cyclopropylmethoxy)-5-methylpyrimidin-4-yl]-5-fluorophenoxy]methyl]-N-methylsulfonylbenzamide is Cc1c(OCC2CC2)ncnc1-c1cc(F)cc(OCc2ccc(C(=O)NS(C)(=O)=O)cc2)c1.
What is the InChIKey of 4-[[3-[6-(cyclopropylmethoxy)-5-methylpyrimidin-4-yl]-5-fluorophenoxy]methyl]-N-methylsulfonylbenzamide?
The InChIKey is VKJWLAHDGLPERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O5S/c1-15-22(26-14-27-24(15)33-13-16-3-4-16)19-9-20(25)11-21(10-19)32-12-17-5-7-18(8-6-17)23(29)28-34(2,30)31/h5-11,14,16H,3-4,12-13H2,1-2H3,(H,28,29).
What are the key properties of 4-[[3-[6-(cyclopropylmethoxy)-5-methylpyrimidin-4-yl]-5-fluorophenoxy]methyl]-N-methylsulfonylbenzamide?
4-[[3-[6-(cyclopropylmethoxy)-5-methylpyrimidin-4-yl]-5-fluorophenoxy]methyl]-N-methylsulfonylbenzamide has a molecular weight of 485.54 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[6-(cyclopropylmethoxy)-5-methylpyrimidin-4-yl]-5-fluorophenoxy]methyl]-N-methylsulfonylbenzamide is sourced from PubChem (CID 142537189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).