1-(4-fluorophenyl)sulfonyl-2-methyl-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-carboxamide

C26H26FN3O4S — CID 71666225

IUPAC1-(4-fluorophenyl)sulfonyl-2-methyl-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-carboxamide
SMILESCC1N(S(=O)(=O)c2ccc(F)cc2)c2ccc(C(=O)NCc3ccccn3)cc2C12CCOCC2
InChIInChI=1S/C26H26FN3O4S/c1-18-26(11-14-34-15-12-26)23-16-19(25(31)29-17-21-4-2-3-13-28-21)5-10-24(23)30(18)35(32,33)22-8-6-20(27)7-9-22/h2-10,13,16,18H,11-12,14-15,17H2,1H3,(H,29,31)
InChIKeyBBYKKIDVOJPXNW-UHFFFAOYSA-N
MW495.58 g/mol
LogP3.80
Rot. Bonds5

About 1-(4-fluorophenyl)sulfonyl-2-methyl-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-carboxamide

1-(4-fluorophenyl)sulfonyl-2-methyl-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-carboxamide (PubChem CID 71666225) has the molecular formula C26H26FN3O4S and a molecular weight of 495.58 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-2-methyl-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-2-methyl-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-carboxamide
PubChem CID71666225
Molecular FormulaC26H26FN3O4S
Molecular Weight495.58 g/mol
Exact Mass495.16
IUPAC Name1-(4-fluorophenyl)sulfonyl-2-methyl-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-carboxamide
SMILESCC1N(S(=O)(=O)c2ccc(F)cc2)c2ccc(C(=O)NCc3ccccn3)cc2C12CCOCC2
InChIInChI=1S/C26H26FN3O4S/c1-18-26(11-14-34-15-12-26)23-16-19(25(31)29-17-21-4-2-3-13-28-21)5-10-24(23)30(18)35(32,33)22-8-6-20(27)7-9-22/h2-10,13,16,18H,11-12,14-15,17H2,1H3,(H,29,31)
InChIKeyBBYKKIDVOJPXNW-UHFFFAOYSA-N
XLogP3.80
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-[(2-chlorophenyl)methyl]-1-N'-cyclopropyl-1-(4-fluorophenyl)sulfonyl-2-methylspiro[2H-indole-3,4'-piperidine]-1',5-dicarboxamide
CID 118179131
4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 8880641
2-cyclopropyl-1-(4-fluorophenyl)sulfonyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2H-indole-3,4'-thiane]-5-carboxamide
CID 142721562
N-[(3-chloro-2-pyridinyl)methyl]-2-cyclopropyl-1-(4-fluorophenyl)sulfonyl-1'-(oxetan-3-yl)spiro[2H-indole-3,4'-piperidine]-5-carboxamide
CID 118179256
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 8880611
N-[(3-chloro-2-pyridinyl)methyl]-1-(4-fluorophenyl)sulfonyl-1'-(oxetan-3-yl)-2-prop-2-enylspiro[2H-indole-3,4'-piperidine]-5-carboxamide
CID 118179029
N-[(2-chlorophenyl)methyl]-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide
CID 118179055
N-[(2-cyanophenyl)methyl]-1-(4-methoxyphenyl)sulfonyl-2-methylspiro[2H-indole-3,4'-piperidine]-5-carboxamide
CID 118167667
N-[(3-chloro-2-pyridinyl)methyl]-1-(4-fluorophenyl)sulfonyl-1',1'-dioxo-2-prop-2-enylspiro[2H-indole-3,4'-thiane]-5-carboxamide
CID 71667832
N-[(2-chlorophenyl)methyl]-2-cyclopropyl-1-(4-fluorophenyl)sulfonyl-4'-hydroxy-4'-(trifluoromethyl)spiro[2H-indole-3,1'-cyclohexane]-5-carboxamide
CID 118113139
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 5073703
ethyl 2-[5-[(2-chlorophenyl)methylcarbamoyl]-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl]-2-oxoacetate
CID 118179223

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-2-methyl-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-2-methyl-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-carboxamide (CID 71666225) is 1-(4-fluorophenyl)sulfonyl-2-methyl-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-2-methyl-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-2-methyl-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-carboxamide is CC1N(S(=O)(=O)c2ccc(F)cc2)c2ccc(C(=O)NCc3ccccn3)cc2C12CCOCC2.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-2-methyl-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-carboxamide?
The InChIKey is BBYKKIDVOJPXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O4S/c1-18-26(11-14-34-15-12-26)23-16-19(25(31)29-17-21-4-2-3-13-28-21)5-10-24(23)30(18)35(32,33)22-8-6-20(27)7-9-22/h2-10,13,16,18H,11-12,14-15,17H2,1H3,(H,29,31).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-2-methyl-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-carboxamide?
1-(4-fluorophenyl)sulfonyl-2-methyl-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-2-methyl-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-carboxamide is sourced from PubChem (CID 71666225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).