5-cyclopropyl-2-fluoro-4-[(4-methylcyclohexyl)methoxy]-N-methylsulfonylbenzamide

C19H26FNO4S — CID 91809419

IUPAC5-cyclopropyl-2-fluoro-4-[(4-methylcyclohexyl)methoxy]-N-methylsulfonylbenzamide
SMILESCC1CCC(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CC1
InChIInChI=1S/C19H26FNO4S/c1-12-3-5-13(6-4-12)11-25-18-10-17(20)16(9-15(18)14-7-8-14)19(22)21-26(2,23)24/h9-10,12-14H,3-8,11H2,1-2H3,(H,21,22)
InChIKeyNMBXLYLZBMJBBZ-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.60
Rot. Bonds6

About 5-cyclopropyl-2-fluoro-4-[(4-methylcyclohexyl)methoxy]-N-methylsulfonylbenzamide

5-cyclopropyl-2-fluoro-4-[(4-methylcyclohexyl)methoxy]-N-methylsulfonylbenzamide (PubChem CID 91809419) has the molecular formula C19H26FNO4S and a molecular weight of 383.49 g/mol. Its IUPAC name is 5-cyclopropyl-2-fluoro-4-[(4-methylcyclohexyl)methoxy]-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name5-cyclopropyl-2-fluoro-4-[(4-methylcyclohexyl)methoxy]-N-methylsulfonylbenzamide
PubChem CID91809419
Molecular FormulaC19H26FNO4S
Molecular Weight383.49 g/mol
Exact Mass383.16
IUPAC Name5-cyclopropyl-2-fluoro-4-[(4-methylcyclohexyl)methoxy]-N-methylsulfonylbenzamide
SMILESCC1CCC(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CC1
InChIInChI=1S/C19H26FNO4S/c1-12-3-5-13(6-4-12)11-25-18-10-17(20)16(9-15(18)14-7-8-14)19(22)21-26(2,23)24/h9-10,12-14H,3-8,11H2,1-2H3,(H,21,22)
InChIKeyNMBXLYLZBMJBBZ-UHFFFAOYSA-N
XLogP3.60
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.60
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-4-[(4-methylcyclohexyl)methoxy]-N-methylsulfonylbenzamide?
The IUPAC name of 5-cyclopropyl-2-fluoro-4-[(4-methylcyclohexyl)methoxy]-N-methylsulfonylbenzamide (CID 91809419) is 5-cyclopropyl-2-fluoro-4-[(4-methylcyclohexyl)methoxy]-N-methylsulfonylbenzamide.
What is the SMILES notation for 5-cyclopropyl-2-fluoro-4-[(4-methylcyclohexyl)methoxy]-N-methylsulfonylbenzamide?
The canonical SMILES for 5-cyclopropyl-2-fluoro-4-[(4-methylcyclohexyl)methoxy]-N-methylsulfonylbenzamide is CC1CCC(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CC1.
What is the InChIKey of 5-cyclopropyl-2-fluoro-4-[(4-methylcyclohexyl)methoxy]-N-methylsulfonylbenzamide?
The InChIKey is NMBXLYLZBMJBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO4S/c1-12-3-5-13(6-4-12)11-25-18-10-17(20)16(9-15(18)14-7-8-14)19(22)21-26(2,23)24/h9-10,12-14H,3-8,11H2,1-2H3,(H,21,22).
What are the key properties of 5-cyclopropyl-2-fluoro-4-[(4-methylcyclohexyl)methoxy]-N-methylsulfonylbenzamide?
5-cyclopropyl-2-fluoro-4-[(4-methylcyclohexyl)methoxy]-N-methylsulfonylbenzamide has a molecular weight of 383.49 g/mol, XLogP of 3.60, 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-4-[(4-methylcyclohexyl)methoxy]-N-methylsulfonylbenzamide is sourced from PubChem (CID 91809419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).