5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]methoxy]benzamide

C24H33FN2O7S2 — CID 118120413

IUPAC5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]methoxy]benzamide
SMILESO=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2CCN(S(=O)(=O)C3CCOCC3)CC2)cc1F
InChIInChI=1S/C24H33FN2O7S2/c25-22-14-23(20(17-1-2-17)13-21(22)24(28)26-35(29,30)18-3-4-18)34-15-16-5-9-27(10-6-16)36(31,32)19-7-11-33-12-8-19/h13-14,16-19H,1-12,15H2,(H,26,28)
InChIKeyKMUOUXHADDVWRU-UHFFFAOYSA-N
MW544.67 g/mol
LogP2.52
Rot. Bonds9

About 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]methoxy]benzamide

5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]methoxy]benzamide (PubChem CID 118120413) has the molecular formula C24H33FN2O7S2 and a molecular weight of 544.67 g/mol. Its IUPAC name is 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]methoxy]benzamide.

Molecular Properties

Compound Name5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]methoxy]benzamide
PubChem CID118120413
Molecular FormulaC24H33FN2O7S2
Molecular Weight544.67 g/mol
Exact Mass544.17
IUPAC Name5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]methoxy]benzamide
SMILESO=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2CCN(S(=O)(=O)C3CCOCC3)CC2)cc1F
InChIInChI=1S/C24H33FN2O7S2/c25-22-14-23(20(17-1-2-17)13-21(22)24(28)26-35(29,30)18-3-4-18)34-15-16-5-9-27(10-6-16)36(31,32)19-7-11-33-12-8-19/h13-14,16-19H,1-12,15H2,(H,26,28)
InChIKeyKMUOUXHADDVWRU-UHFFFAOYSA-N
XLogP2.52
TPSA119.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.67
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]methoxy]benzamide with MolForge

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Related Compounds

Nav1.7-IN-6
CID 118120526
4-(1-adamantylmethoxy)-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide
CID 72546154
4-(cyclohexylmethoxy)-5-cyclopropyl-2-fluoro-N-(methylsulfonyl)benzamide
CID 86703482
NaV1.7 inhibitor-1
CID 90026208
4-((1-benzhydrylpiperidin-4-yl)methoxy)-5-cyclopropyl-2-fluoro-N-(methylsulfonyl)benzamide
CID 72549135
5-cyclopropyl-4-((4,4-difluorocyclohexyl)methoxy)-2-fluoro-N-(methylsulfonyl)benzamide
CID 86702864
5-cyclopropyl-N-(cyclopropylsulfonyl)-4-((4,4-difluoro-1-methylcyclohexyl)-methoxy)-2-fluorobenzamide
CID 86703474
5-cyclopropyl-4-((4,4-difluorocyclohexyl)-methoxy)-2-fluoro-N-((2-methoxyethyl)sulfonyl)benzamide
CID 86703519
5-cyclopropyl-N-(cyclopropylsulfonyl)-4-((4,4-difluorocyclohexyl)-methoxy)-2-fluorobenzamide
CID 86703523
4-((1-benzhydrylazetidin-3-yl)methoxy)-5-cyclopropyl-2-fluoro-N-(methylsulfonyl)benzamide
CID 86703777
4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluoro-N-pyrrolidin-1-ylsulfonylbenzamide
CID 90016242
5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzamide
CID 90016480

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]methoxy]benzamide?
The IUPAC name of 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]methoxy]benzamide (CID 118120413) is 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]methoxy]benzamide.
What is the SMILES notation for 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]methoxy]benzamide?
The canonical SMILES for 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]methoxy]benzamide is O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2CCN(S(=O)(=O)C3CCOCC3)CC2)cc1F.
What is the InChIKey of 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]methoxy]benzamide?
The InChIKey is KMUOUXHADDVWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN2O7S2/c25-22-14-23(20(17-1-2-17)13-21(22)24(28)26-35(29,30)18-3-4-18)34-15-16-5-9-27(10-6-16)36(31,32)19-7-11-33-12-8-19/h13-14,16-19H,1-12,15H2,(H,26,28).
What are the key properties of 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]methoxy]benzamide?
5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]methoxy]benzamide has a molecular weight of 544.67 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]methoxy]benzamide is sourced from PubChem (CID 118120413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).