(2R)-3-(cyclopentanecarbonyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one

C24H24F2N2O2S — CID 93187308

IUPAC(2R)-3-(cyclopentanecarbonyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCc1ccc2c(c1)[C@@]1(SCCN1C(=O)C1CCCC1)C(=O)N2Cc1c(F)cccc1F
InChIInChI=1S/C24H24F2N2O2S/c1-15-9-10-21-18(13-15)24(28(11-12-31-24)22(29)16-5-2-3-6-16)23(30)27(21)14-17-19(25)7-4-8-20(17)26/h4,7-10,13,16H,2-3,5-6,11-12,14H2,1H3/t24-/m1/s1
InChIKeyBDWAHZDQBYVKJJ-XMMPIXPASA-N
MW442.53 g/mol
LogP4.74
Rot. Bonds3

About (2R)-3-(cyclopentanecarbonyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one

(2R)-3-(cyclopentanecarbonyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 93187308) has the molecular formula C24H24F2N2O2S and a molecular weight of 442.53 g/mol. Its IUPAC name is (2R)-3-(cyclopentanecarbonyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name(2R)-3-(cyclopentanecarbonyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
PubChem CID93187308
Molecular FormulaC24H24F2N2O2S
Molecular Weight442.53 g/mol
Exact Mass442.15
IUPAC Name(2R)-3-(cyclopentanecarbonyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCc1ccc2c(c1)[C@@]1(SCCN1C(=O)C1CCCC1)C(=O)N2Cc1c(F)cccc1F
InChIInChI=1S/C24H24F2N2O2S/c1-15-9-10-21-18(13-15)24(28(11-12-31-24)22(29)16-5-2-3-6-16)23(30)27(21)14-17-19(25)7-4-8-20(17)26/h4,7-10,13,16H,2-3,5-6,11-12,14H2,1H3/t24-/m1/s1
InChIKeyBDWAHZDQBYVKJJ-XMMPIXPASA-N
XLogP4.74
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclobutanecarbonyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 42839223
(2R)-3-(cyclopentanecarbonyl)-1'-[(2-fluorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186251
(2S)-3-(cyclopropanecarbonyl)-1'-[(2-fluorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186240
(2R)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187300
(2R)-1'-[(2,6-difluorophenyl)methyl]-3-(4-fluorobenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187290
(2S)-1'-[(2,6-difluorophenyl)methyl]-3-(2-methoxyacetyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187313
(2S)-3-(cyclobutanecarbonyl)-5'-fluoro-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186515
(2R)-3-(cyclopentanecarbonyl)-5'-fluoro-1'-[(3-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186578
(2R)-N-(4-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185659
(2R)-1'-[(2,6-difluorophenyl)methyl]-3-(4-methoxybenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187296
(2R)-1'-[(2,6-difluorophenyl)methyl]-N-(4-methoxyphenyl)-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185643
(2R)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187294

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(cyclopentanecarbonyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The IUPAC name of (2R)-3-(cyclopentanecarbonyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 93187308) is (2R)-3-(cyclopentanecarbonyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one.
What is the SMILES notation for (2R)-3-(cyclopentanecarbonyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The canonical SMILES for (2R)-3-(cyclopentanecarbonyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one is Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)C1CCCC1)C(=O)N2Cc1c(F)cccc1F.
What is the InChIKey of (2R)-3-(cyclopentanecarbonyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The InChIKey is BDWAHZDQBYVKJJ-XMMPIXPASA-N. The full InChI is InChI=1S/C24H24F2N2O2S/c1-15-9-10-21-18(13-15)24(28(11-12-31-24)22(29)16-5-2-3-6-16)23(30)27(21)14-17-19(25)7-4-8-20(17)26/h4,7-10,13,16H,2-3,5-6,11-12,14H2,1H3/t24-/m1/s1.
What are the key properties of (2R)-3-(cyclopentanecarbonyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
(2R)-3-(cyclopentanecarbonyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one has a molecular weight of 442.53 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(cyclopentanecarbonyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 93187308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).