5-cyclopropyl-4-[[1-(3,5-difluorobenzoyl)-4-fluoropiperidin-4-yl]methoxymethyl]-2-fluoro-N-methylsulfonylbenzamide

C25H26F4N2O5S — CID 138516484

IUPAC5-cyclopropyl-4-[[1-(3,5-difluorobenzoyl)-4-fluoropiperidin-4-yl]methoxymethyl]-2-fluoro-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(C2CC2)c(COCC2(F)CCN(C(=O)c3cc(F)cc(F)c3)CC2)cc1F
InChIInChI=1S/C25H26F4N2O5S/c1-37(34,35)30-23(32)21-12-20(15-2-3-15)17(10-22(21)28)13-36-14-25(29)4-6-31(7-5-25)24(33)16-8-18(26)11-19(27)9-16/h8-12,15H,2-7,13-14H2,1H3,(H,30,32)
InChIKeyPGDKJEQSCVBIMP-UHFFFAOYSA-N
MW542.55 g/mol
LogP3.83
Rot. Bonds8

About 5-cyclopropyl-4-[[1-(3,5-difluorobenzoyl)-4-fluoropiperidin-4-yl]methoxymethyl]-2-fluoro-N-methylsulfonylbenzamide

5-cyclopropyl-4-[[1-(3,5-difluorobenzoyl)-4-fluoropiperidin-4-yl]methoxymethyl]-2-fluoro-N-methylsulfonylbenzamide (PubChem CID 138516484) has the molecular formula C25H26F4N2O5S and a molecular weight of 542.55 g/mol. Its IUPAC name is 5-cyclopropyl-4-[[1-(3,5-difluorobenzoyl)-4-fluoropiperidin-4-yl]methoxymethyl]-2-fluoro-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name5-cyclopropyl-4-[[1-(3,5-difluorobenzoyl)-4-fluoropiperidin-4-yl]methoxymethyl]-2-fluoro-N-methylsulfonylbenzamide
PubChem CID138516484
Molecular FormulaC25H26F4N2O5S
Molecular Weight542.55 g/mol
Exact Mass542.15
IUPAC Name5-cyclopropyl-4-[[1-(3,5-difluorobenzoyl)-4-fluoropiperidin-4-yl]methoxymethyl]-2-fluoro-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(C2CC2)c(COCC2(F)CCN(C(=O)c3cc(F)cc(F)c3)CC2)cc1F
InChIInChI=1S/C25H26F4N2O5S/c1-37(34,35)30-23(32)21-12-20(15-2-3-15)17(10-22(21)28)13-36-14-25(29)4-6-31(7-5-25)24(33)16-8-18(26)11-19(27)9-16/h8-12,15H,2-7,13-14H2,1H3,(H,30,32)
InChIKeyPGDKJEQSCVBIMP-UHFFFAOYSA-N
XLogP3.83
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.55
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-cyclopropyl-4-[[1-(3,5-difluorobenzoyl)-4-fluoropiperidin-4-yl]methoxymethyl]-2-fluoro-N-methylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-[[1-(3,5-difluorobenzoyl)-4-fluoropiperidin-4-yl]methoxymethyl]-2-fluoro-N-methylsulfonylbenzamide?
The IUPAC name of 5-cyclopropyl-4-[[1-(3,5-difluorobenzoyl)-4-fluoropiperidin-4-yl]methoxymethyl]-2-fluoro-N-methylsulfonylbenzamide (CID 138516484) is 5-cyclopropyl-4-[[1-(3,5-difluorobenzoyl)-4-fluoropiperidin-4-yl]methoxymethyl]-2-fluoro-N-methylsulfonylbenzamide.
What is the SMILES notation for 5-cyclopropyl-4-[[1-(3,5-difluorobenzoyl)-4-fluoropiperidin-4-yl]methoxymethyl]-2-fluoro-N-methylsulfonylbenzamide?
The canonical SMILES for 5-cyclopropyl-4-[[1-(3,5-difluorobenzoyl)-4-fluoropiperidin-4-yl]methoxymethyl]-2-fluoro-N-methylsulfonylbenzamide is CS(=O)(=O)NC(=O)c1cc(C2CC2)c(COCC2(F)CCN(C(=O)c3cc(F)cc(F)c3)CC2)cc1F.
What is the InChIKey of 5-cyclopropyl-4-[[1-(3,5-difluorobenzoyl)-4-fluoropiperidin-4-yl]methoxymethyl]-2-fluoro-N-methylsulfonylbenzamide?
The InChIKey is PGDKJEQSCVBIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F4N2O5S/c1-37(34,35)30-23(32)21-12-20(15-2-3-15)17(10-22(21)28)13-36-14-25(29)4-6-31(7-5-25)24(33)16-8-18(26)11-19(27)9-16/h8-12,15H,2-7,13-14H2,1H3,(H,30,32).
What are the key properties of 5-cyclopropyl-4-[[1-(3,5-difluorobenzoyl)-4-fluoropiperidin-4-yl]methoxymethyl]-2-fluoro-N-methylsulfonylbenzamide?
5-cyclopropyl-4-[[1-(3,5-difluorobenzoyl)-4-fluoropiperidin-4-yl]methoxymethyl]-2-fluoro-N-methylsulfonylbenzamide has a molecular weight of 542.55 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-[[1-(3,5-difluorobenzoyl)-4-fluoropiperidin-4-yl]methoxymethyl]-2-fluoro-N-methylsulfonylbenzamide is sourced from PubChem (CID 138516484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).