5-cyclopropyl-N-cyclopropylsulfinyl-2-fluoro-4-[(6-methylspiro[2.5]octan-6-yl)methoxy]benzamide

C23H30FNO3S — CID 123451013

IUPAC5-cyclopropyl-N-cyclopropylsulfinyl-2-fluoro-4-[(6-methylspiro[2.5]octan-6-yl)methoxy]benzamide
SMILESCC1(COc2cc(F)c(C(=O)NS(=O)C3CC3)cc2C2CC2)CCC2(CC1)CC2
InChIInChI=1S/C23H30FNO3S/c1-22(6-8-23(9-7-22)10-11-23)14-28-20-13-19(24)18(12-17(20)15-2-3-15)21(26)25-29(27)16-4-5-16/h12-13,15-16H,2-11,14H2,1H3,(H,25,26)
InChIKeyPOBPERFPTSKUKH-UHFFFAOYSA-N
MW419.56 g/mol
LogP5.00
Rot. Bonds7

About 5-cyclopropyl-N-cyclopropylsulfinyl-2-fluoro-4-[(6-methylspiro[2.5]octan-6-yl)methoxy]benzamide

5-cyclopropyl-N-cyclopropylsulfinyl-2-fluoro-4-[(6-methylspiro[2.5]octan-6-yl)methoxy]benzamide (PubChem CID 123451013) has the molecular formula C23H30FNO3S and a molecular weight of 419.56 g/mol. Its IUPAC name is 5-cyclopropyl-N-cyclopropylsulfinyl-2-fluoro-4-[(6-methylspiro[2.5]octan-6-yl)methoxy]benzamide.

Molecular Properties

Compound Name5-cyclopropyl-N-cyclopropylsulfinyl-2-fluoro-4-[(6-methylspiro[2.5]octan-6-yl)methoxy]benzamide
PubChem CID123451013
Molecular FormulaC23H30FNO3S
Molecular Weight419.56 g/mol
Exact Mass419.19
IUPAC Name5-cyclopropyl-N-cyclopropylsulfinyl-2-fluoro-4-[(6-methylspiro[2.5]octan-6-yl)methoxy]benzamide
SMILESCC1(COc2cc(F)c(C(=O)NS(=O)C3CC3)cc2C2CC2)CCC2(CC1)CC2
InChIInChI=1S/C23H30FNO3S/c1-22(6-8-23(9-7-22)10-11-23)14-28-20-13-19(24)18(12-17(20)15-2-3-15)21(26)25-29(27)16-4-5-16/h12-13,15-16H,2-11,14H2,1H3,(H,25,26)
InChIKeyPOBPERFPTSKUKH-UHFFFAOYSA-N
XLogP5.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.56
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-cyclopropyl-N-cyclopropylsulfinyl-2-fluoro-4-[(6-methylspiro[2.5]octan-6-yl)methoxy]benzamide with MolForge

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Related Compounds

5-cyclopropyl-N-cyclopropylsulfinyl-2-fluoro-4-[(1-formylpiperidin-4-yl)methoxy]benzamide
CID 144850222
5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzamide
CID 90025410
5-cyclopropyl-N-ethylsulfinyl-2-fluoro-4-[(3-methylazetidin-3-yl)methoxy]benzamide;1,3-dichloro-5-ethylbenzene
CID 144850110
5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)-2-methoxyethyl]-4-methylpiperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide
CID 118111413
tert-butyl 4-[[2-cyclopropyl-5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenoxy]methyl]-4-methylpiperidine-1-carboxylate
CID 118111001
5-cyclopropyl-4-[[1-[1-(3,5-dichlorophenyl)-2-methoxyethyl]-4-methylpiperidin-4-yl]methoxy]-2-fluoro-N-methylsulfanylbenzamide
CID 144850757
tert-butyl 5-cyclopropyl-2-fluoro-4-[(3-methylazetidin-3-yl)methoxy]benzoate
CID 118353600
4-(1-adamantylmethoxy)-5-cyclopropyl-N-(1-ethylcyclopropyl)-2-fluorobenzamide
CID 160780008
5-cyclopropyl-N-cyclopropylsulfinyl-4-[1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]oxy-2-fluorobenzamide
CID 144850860
5-cyclopropyl-4-[[1-[1-(3,5-dichlorophenyl)ethyl]-3-methylazetidin-3-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide
CID 118111050
(2S)-1-[5-cyclopropyl-4-[(1,4-dimethylcyclohexyl)methoxy]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid
CID 130184706
4-[(1-benzhydryl-3-methylazetidin-3-yl)methoxy]-5-cyclopropyl-2-fluorobenzamide;ethane
CID 144850073

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-cyclopropylsulfinyl-2-fluoro-4-[(6-methylspiro[2.5]octan-6-yl)methoxy]benzamide?
The IUPAC name of 5-cyclopropyl-N-cyclopropylsulfinyl-2-fluoro-4-[(6-methylspiro[2.5]octan-6-yl)methoxy]benzamide (CID 123451013) is 5-cyclopropyl-N-cyclopropylsulfinyl-2-fluoro-4-[(6-methylspiro[2.5]octan-6-yl)methoxy]benzamide.
What is the SMILES notation for 5-cyclopropyl-N-cyclopropylsulfinyl-2-fluoro-4-[(6-methylspiro[2.5]octan-6-yl)methoxy]benzamide?
The canonical SMILES for 5-cyclopropyl-N-cyclopropylsulfinyl-2-fluoro-4-[(6-methylspiro[2.5]octan-6-yl)methoxy]benzamide is CC1(COc2cc(F)c(C(=O)NS(=O)C3CC3)cc2C2CC2)CCC2(CC1)CC2.
What is the InChIKey of 5-cyclopropyl-N-cyclopropylsulfinyl-2-fluoro-4-[(6-methylspiro[2.5]octan-6-yl)methoxy]benzamide?
The InChIKey is POBPERFPTSKUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FNO3S/c1-22(6-8-23(9-7-22)10-11-23)14-28-20-13-19(24)18(12-17(20)15-2-3-15)21(26)25-29(27)16-4-5-16/h12-13,15-16H,2-11,14H2,1H3,(H,25,26).
What are the key properties of 5-cyclopropyl-N-cyclopropylsulfinyl-2-fluoro-4-[(6-methylspiro[2.5]octan-6-yl)methoxy]benzamide?
5-cyclopropyl-N-cyclopropylsulfinyl-2-fluoro-4-[(6-methylspiro[2.5]octan-6-yl)methoxy]benzamide has a molecular weight of 419.56 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-cyclopropylsulfinyl-2-fluoro-4-[(6-methylspiro[2.5]octan-6-yl)methoxy]benzamide is sourced from PubChem (CID 123451013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).