5-cyclopropyl-4-(cyclopropylmethoxy)-2-fluoro-N-[4-(1-methylazetidin-3-yl)oxypiperidin-1-yl]sulfonylbenzamide

C23H32FN3O5S — CID 167488808

IUPAC5-cyclopropyl-4-(cyclopropylmethoxy)-2-fluoro-N-[4-(1-methylazetidin-3-yl)oxypiperidin-1-yl]sulfonylbenzamide
SMILESCN1CC(OC2CCN(S(=O)(=O)NC(=O)c3cc(C4CC4)c(OCC4CC4)cc3F)CC2)C1
InChIInChI=1S/C23H32FN3O5S/c1-26-12-18(13-26)32-17-6-8-27(9-7-17)33(29,30)25-23(28)20-10-19(16-4-5-16)22(11-21(20)24)31-14-15-2-3-15/h10-11,15-18H,2-9,12-14H2,1H3,(H,25,28)
InChIKeyNKGVQQKFAOZEJJ-UHFFFAOYSA-N
MW481.59 g/mol
LogP2.26
Rot. Bonds9

About 5-cyclopropyl-4-(cyclopropylmethoxy)-2-fluoro-N-[4-(1-methylazetidin-3-yl)oxypiperidin-1-yl]sulfonylbenzamide

5-cyclopropyl-4-(cyclopropylmethoxy)-2-fluoro-N-[4-(1-methylazetidin-3-yl)oxypiperidin-1-yl]sulfonylbenzamide (PubChem CID 167488808) has the molecular formula C23H32FN3O5S and a molecular weight of 481.59 g/mol. Its IUPAC name is 5-cyclopropyl-4-(cyclopropylmethoxy)-2-fluoro-N-[4-(1-methylazetidin-3-yl)oxypiperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound Name5-cyclopropyl-4-(cyclopropylmethoxy)-2-fluoro-N-[4-(1-methylazetidin-3-yl)oxypiperidin-1-yl]sulfonylbenzamide
PubChem CID167488808
Molecular FormulaC23H32FN3O5S
Molecular Weight481.59 g/mol
Exact Mass481.20
IUPAC Name5-cyclopropyl-4-(cyclopropylmethoxy)-2-fluoro-N-[4-(1-methylazetidin-3-yl)oxypiperidin-1-yl]sulfonylbenzamide
SMILESCN1CC(OC2CCN(S(=O)(=O)NC(=O)c3cc(C4CC4)c(OCC4CC4)cc3F)CC2)C1
InChIInChI=1S/C23H32FN3O5S/c1-26-12-18(13-26)32-17-6-8-27(9-7-17)33(29,30)25-23(28)20-10-19(16-4-5-16)22(11-21(20)24)31-14-15-2-3-15/h10-11,15-18H,2-9,12-14H2,1H3,(H,25,28)
InChIKeyNKGVQQKFAOZEJJ-UHFFFAOYSA-N
XLogP2.26
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.59
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-4-(cyclopropylmethoxy)-2-fluoro-N-[4-(1-methylazetidin-3-yl)oxypiperidin-1-yl]sulfonylbenzamide with MolForge

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Related Compounds

N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-4-[(4,4-dimethylcyclohexyl)methoxy]-2-fluorobenzamide
CID 86703498
4-(cyclopentylmethoxy)-5-cyclopropyl-2-fluoro-N-(3-methoxyazetidin-1-yl)sulfonylbenzamide
CID 86703622
5-cyclopropyl-2-fluoro-4-[(4-methylcyclohexyl)methoxy]-N-methylsulfonylbenzamide
CID 91809419
5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide
CID 118111314
N-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-5-chloro-4-(cyclopentylmethoxy)-2-fluorobenzamide
CID 171761882
5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]methoxy]benzamide
CID 118120413
5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-[4-[(3S)-pyrrolidin-3-yl]oxypiperidin-1-yl]sulfonylbenzamide;2,2,2-trifluoroacetic acid
CID 175859046
tert-butyl 3-[1-[[5-chloro-4-(cyclopentylmethoxy)-2-fluorobenzoyl]sulfamoyl]azetidin-3-yl]oxypyrrolidine-1-carboxylate
CID 167488674
tert-butyl N-[[(2R)-4-[[4-(cyclopentylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]sulfamoyl]morpholin-2-yl]methyl]carbamate
CID 167488585
4-[[1-(4-bromo-3-chlorocyclohexa-1,3-dien-1-yl)sulfonylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
CID 148938765
4-[[4,4-bis(fluoromethyl)cyclohexyl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
CID 90015792
4-[[1-[(3-chloro-5-cyclopropyloxyphenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
CID 122700254

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-(cyclopropylmethoxy)-2-fluoro-N-[4-(1-methylazetidin-3-yl)oxypiperidin-1-yl]sulfonylbenzamide?
The IUPAC name of 5-cyclopropyl-4-(cyclopropylmethoxy)-2-fluoro-N-[4-(1-methylazetidin-3-yl)oxypiperidin-1-yl]sulfonylbenzamide (CID 167488808) is 5-cyclopropyl-4-(cyclopropylmethoxy)-2-fluoro-N-[4-(1-methylazetidin-3-yl)oxypiperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for 5-cyclopropyl-4-(cyclopropylmethoxy)-2-fluoro-N-[4-(1-methylazetidin-3-yl)oxypiperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for 5-cyclopropyl-4-(cyclopropylmethoxy)-2-fluoro-N-[4-(1-methylazetidin-3-yl)oxypiperidin-1-yl]sulfonylbenzamide is CN1CC(OC2CCN(S(=O)(=O)NC(=O)c3cc(C4CC4)c(OCC4CC4)cc3F)CC2)C1.
What is the InChIKey of 5-cyclopropyl-4-(cyclopropylmethoxy)-2-fluoro-N-[4-(1-methylazetidin-3-yl)oxypiperidin-1-yl]sulfonylbenzamide?
The InChIKey is NKGVQQKFAOZEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O5S/c1-26-12-18(13-26)32-17-6-8-27(9-7-17)33(29,30)25-23(28)20-10-19(16-4-5-16)22(11-21(20)24)31-14-15-2-3-15/h10-11,15-18H,2-9,12-14H2,1H3,(H,25,28).
What are the key properties of 5-cyclopropyl-4-(cyclopropylmethoxy)-2-fluoro-N-[4-(1-methylazetidin-3-yl)oxypiperidin-1-yl]sulfonylbenzamide?
5-cyclopropyl-4-(cyclopropylmethoxy)-2-fluoro-N-[4-(1-methylazetidin-3-yl)oxypiperidin-1-yl]sulfonylbenzamide has a molecular weight of 481.59 g/mol, XLogP of 2.26, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-(cyclopropylmethoxy)-2-fluoro-N-[4-(1-methylazetidin-3-yl)oxypiperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 167488808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).