(3R)-5-[2-(4-fluorophenyl)sulfanylacetyl]-3-methyl-1,3-dihydroindol-2-one

C17H14FNO2S — CID 8886329

IUPAC(3R)-5-[2-(4-fluorophenyl)sulfanylacetyl]-3-methyl-1,3-dihydroindol-2-one
SMILESC[C@H]1C(=O)Nc2ccc(C(=O)CSc3ccc(F)cc3)cc21
InChIInChI=1S/C17H14FNO2S/c1-10-14-8-11(2-7-15(14)19-17(10)21)16(20)9-22-13-5-3-12(18)4-6-13/h2-8,10H,9H2,1H3,(H,19,21)/t10-/m1/s1
InChIKeyNHXODPUOEHVMQJ-SNVBAGLBSA-N
MW315.37 g/mol
LogP3.86
Rot. Bonds4

About (3R)-5-[2-(4-fluorophenyl)sulfanylacetyl]-3-methyl-1,3-dihydroindol-2-one

(3R)-5-[2-(4-fluorophenyl)sulfanylacetyl]-3-methyl-1,3-dihydroindol-2-one (PubChem CID 8886329) has the molecular formula C17H14FNO2S and a molecular weight of 315.37 g/mol. Its IUPAC name is (3R)-5-[2-(4-fluorophenyl)sulfanylacetyl]-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3R)-5-[2-(4-fluorophenyl)sulfanylacetyl]-3-methyl-1,3-dihydroindol-2-one
PubChem CID8886329
Molecular FormulaC17H14FNO2S
Molecular Weight315.37 g/mol
Exact Mass315.07
IUPAC Name(3R)-5-[2-(4-fluorophenyl)sulfanylacetyl]-3-methyl-1,3-dihydroindol-2-one
SMILESC[C@H]1C(=O)Nc2ccc(C(=O)CSc3ccc(F)cc3)cc21
InChIInChI=1S/C17H14FNO2S/c1-10-14-8-11(2-7-15(14)19-17(10)21)16(20)9-22-13-5-3-12(18)4-6-13/h2-8,10H,9H2,1H3,(H,19,21)/t10-/m1/s1
InChIKeyNHXODPUOEHVMQJ-SNVBAGLBSA-N
XLogP3.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-5-(2-chloroacetyl)-3-methyl-1,3-dihydroindol-2-one
CID 7129467
(3S)-5-[2-[[5-benzyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-3-methyl-1,3-dihydroindol-2-one
CID 25341274
(3S)-3-methyl-5-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]-1,3-dihydroindol-2-one
CID 9288861
3-methyl-5-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)-1,3-dihydroindol-2-one
CID 17476712
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 9491721
(3S)-5-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1,3-dihydroindol-2-one
CID 8511061
(3R)-5-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1,3-dihydroindol-2-one
CID 8511054
[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate
CID 8884326
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387319
2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanone
CID 43802304
[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate
CID 8539531
2-(4-fluorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanone
CID 51072855

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[2-(4-fluorophenyl)sulfanylacetyl]-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of (3R)-5-[2-(4-fluorophenyl)sulfanylacetyl]-3-methyl-1,3-dihydroindol-2-one (CID 8886329) is (3R)-5-[2-(4-fluorophenyl)sulfanylacetyl]-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for (3R)-5-[2-(4-fluorophenyl)sulfanylacetyl]-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for (3R)-5-[2-(4-fluorophenyl)sulfanylacetyl]-3-methyl-1,3-dihydroindol-2-one is C[C@H]1C(=O)Nc2ccc(C(=O)CSc3ccc(F)cc3)cc21.
What is the InChIKey of (3R)-5-[2-(4-fluorophenyl)sulfanylacetyl]-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is NHXODPUOEHVMQJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H14FNO2S/c1-10-14-8-11(2-7-15(14)19-17(10)21)16(20)9-22-13-5-3-12(18)4-6-13/h2-8,10H,9H2,1H3,(H,19,21)/t10-/m1/s1.
What are the key properties of (3R)-5-[2-(4-fluorophenyl)sulfanylacetyl]-3-methyl-1,3-dihydroindol-2-one?
(3R)-5-[2-(4-fluorophenyl)sulfanylacetyl]-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 315.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-[2-(4-fluorophenyl)sulfanylacetyl]-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 8886329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).