5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzamide

C20H25F4NO4S — CID 90025410

IUPAC5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzamide
SMILESCC1(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C20H25F4NO4S/c1-19(7-5-13(6-8-19)20(22,23)24)11-29-17-10-16(21)15(9-14(17)12-3-4-12)18(26)25-30(2,27)28/h9-10,12-13H,3-8,11H2,1-2H3,(H,25,26)
InChIKeyVBXBTMQTEDBXRO-UHFFFAOYSA-N
MW451.48 g/mol
LogP4.53
Rot. Bonds6

About 5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzamide

5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzamide (PubChem CID 90025410) has the molecular formula C20H25F4NO4S and a molecular weight of 451.48 g/mol. Its IUPAC name is 5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzamide.

Molecular Properties

Compound Name5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzamide
PubChem CID90025410
Molecular FormulaC20H25F4NO4S
Molecular Weight451.48 g/mol
Exact Mass451.14
IUPAC Name5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzamide
SMILESCC1(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C20H25F4NO4S/c1-19(7-5-13(6-8-19)20(22,23)24)11-29-17-10-16(21)15(9-14(17)12-3-4-12)18(26)25-30(2,27)28/h9-10,12-13H,3-8,11H2,1-2H3,(H,25,26)
InChIKeyVBXBTMQTEDBXRO-UHFFFAOYSA-N
XLogP4.53
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzamide?
The IUPAC name of 5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzamide (CID 90025410) is 5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzamide.
What is the SMILES notation for 5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzamide?
The canonical SMILES for 5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzamide is CC1(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CCC(C(F)(F)F)CC1.
What is the InChIKey of 5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzamide?
The InChIKey is VBXBTMQTEDBXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F4NO4S/c1-19(7-5-13(6-8-19)20(22,23)24)11-29-17-10-16(21)15(9-14(17)12-3-4-12)18(26)25-30(2,27)28/h9-10,12-13H,3-8,11H2,1-2H3,(H,25,26).
What are the key properties of 5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzamide?
5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzamide has a molecular weight of 451.48 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzamide is sourced from PubChem (CID 90025410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).