3-(4-chlorobenzoyl)-1'-[(2-fluorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one

C25H20ClFN2O3S — CID 46017098

IUPAC3-(4-chlorobenzoyl)-1'-[(2-fluorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCOc1ccc2c(c1)C1(SCCN1C(=O)c1ccc(Cl)cc1)C(=O)N2Cc1ccccc1F
InChIInChI=1S/C25H20ClFN2O3S/c1-32-19-10-11-22-20(14-19)25(24(31)28(22)15-17-4-2-3-5-21(17)27)29(12-13-33-25)23(30)16-6-8-18(26)9-7-16/h2-11,14H,12-13,15H2,1H3
InChIKeyAYVHIAXAILSTQV-UHFFFAOYSA-N
MW482.96 g/mol
LogP5.08
Rot. Bonds4

About 3-(4-chlorobenzoyl)-1'-[(2-fluorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one

3-(4-chlorobenzoyl)-1'-[(2-fluorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 46017098) has the molecular formula C25H20ClFN2O3S and a molecular weight of 482.96 g/mol. Its IUPAC name is 3-(4-chlorobenzoyl)-1'-[(2-fluorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name3-(4-chlorobenzoyl)-1'-[(2-fluorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one
PubChem CID46017098
Molecular FormulaC25H20ClFN2O3S
Molecular Weight482.96 g/mol
Exact Mass482.09
IUPAC Name3-(4-chlorobenzoyl)-1'-[(2-fluorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCOc1ccc2c(c1)C1(SCCN1C(=O)c1ccc(Cl)cc1)C(=O)N2Cc1ccccc1F
InChIInChI=1S/C25H20ClFN2O3S/c1-32-19-10-11-22-20(14-19)25(24(31)28(22)15-17-4-2-3-5-21(17)27)29(12-13-33-25)23(30)16-6-8-18(26)9-7-16/h2-11,14H,12-13,15H2,1H3
InChIKeyAYVHIAXAILSTQV-UHFFFAOYSA-N
XLogP5.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.96
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-[(2-fluorophenyl)methyl]-5'-methoxy-3-(4-methoxybenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017090
1'-[(2-chlorophenyl)methyl]-5'-methoxy-3-(4-methoxybenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017183
1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(4-methoxybenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016983
(2S)-1'-[(2-chlorophenyl)methyl]-5'-methoxy-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187053
(2S)-3-(4-chlorobenzoyl)-5'-methoxy-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186929
(2R)-3-(4-chlorobenzoyl)-5'-methoxy-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 98423605
(2R)-1'-[(2,6-difluorophenyl)methyl]-3-(4-methoxybenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187296
5'-chloro-3-(4-methoxybenzoyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017058
(2S)-5'-chloro-1'-[(2-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186641
(2S)-3-(4-fluorobenzoyl)-5'-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187069
5'-chloro-1'-[(2-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46151214
(2R)-1'-benzyl-3-(3-chlorobenzoyl)-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93181720

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorobenzoyl)-1'-[(2-fluorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The IUPAC name of 3-(4-chlorobenzoyl)-1'-[(2-fluorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 46017098) is 3-(4-chlorobenzoyl)-1'-[(2-fluorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one.
What is the SMILES notation for 3-(4-chlorobenzoyl)-1'-[(2-fluorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The canonical SMILES for 3-(4-chlorobenzoyl)-1'-[(2-fluorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one is COc1ccc2c(c1)C1(SCCN1C(=O)c1ccc(Cl)cc1)C(=O)N2Cc1ccccc1F.
What is the InChIKey of 3-(4-chlorobenzoyl)-1'-[(2-fluorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The InChIKey is AYVHIAXAILSTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN2O3S/c1-32-19-10-11-22-20(14-19)25(24(31)28(22)15-17-4-2-3-5-21(17)27)29(12-13-33-25)23(30)16-6-8-18(26)9-7-16/h2-11,14H,12-13,15H2,1H3.
What are the key properties of 3-(4-chlorobenzoyl)-1'-[(2-fluorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
3-(4-chlorobenzoyl)-1'-[(2-fluorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one has a molecular weight of 482.96 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorobenzoyl)-1'-[(2-fluorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 46017098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).