N-(3-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

C25H20ClF2N3O2S — CID 46016693

IUPACN-(3-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESCc1ccc2c(c1)C1(SCCN1C(=O)Nc1cccc(Cl)c1)C(=O)N2Cc1c(F)cccc1F
InChIInChI=1S/C25H20ClF2N3O2S/c1-15-8-9-22-19(12-15)25(23(32)30(22)14-18-20(27)6-3-7-21(18)28)31(10-11-34-25)24(33)29-17-5-2-4-16(26)13-17/h2-9,12-13H,10-11,14H2,1H3,(H,29,33)
InChIKeyDHUUJGCUCIILGD-UHFFFAOYSA-N
MW499.97 g/mol
LogP5.91
Rot. Bonds3

About N-(3-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

N-(3-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (PubChem CID 46016693) has the molecular formula C25H20ClF2N3O2S and a molecular weight of 499.97 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
PubChem CID46016693
Molecular FormulaC25H20ClF2N3O2S
Molecular Weight499.97 g/mol
Exact Mass499.09
IUPAC NameN-(3-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESCc1ccc2c(c1)C1(SCCN1C(=O)Nc1cccc(Cl)c1)C(=O)N2Cc1c(F)cccc1F
InChIInChI=1S/C25H20ClF2N3O2S/c1-15-8-9-22-19(12-15)25(23(32)30(22)14-18-20(27)6-3-7-21(18)28)31(10-11-34-25)24(33)29-17-5-2-4-16(26)13-17/h2-9,12-13H,10-11,14H2,1H3,(H,29,33)
InChIKeyDHUUJGCUCIILGD-UHFFFAOYSA-N
XLogP5.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.97
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185659
N-(3-chlorophenyl)-1'-[(3,4-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016712
N-(3-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016740
1'-[(2,6-difluorophenyl)methyl]-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016666
(2R)-1'-[(2,6-difluorophenyl)methyl]-N-(4-methoxyphenyl)-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185643
(2S)-N-(3-chlorophenyl)-1'-[(3-methoxyphenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93184908
(2S)-1'-[(3,4-difluorophenyl)methyl]-5'-methyl-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185730
(2S)-5'-chloro-N-(3-methylphenyl)-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185102
1'-benzyl-N-(3-chlorophenyl)-5'-fluoro-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 42839135
1'-[(2,4-difluorophenyl)methyl]-5'-methyl-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016705
(2S)-1'-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93184746
(2R)-N-(4-chlorophenyl)-5'-methyl-1'-[(4-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93184836

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (CID 46016693) is N-(3-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is Cc1ccc2c(c1)C1(SCCN1C(=O)Nc1cccc(Cl)c1)C(=O)N2Cc1c(F)cccc1F.
What is the InChIKey of N-(3-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The InChIKey is DHUUJGCUCIILGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF2N3O2S/c1-15-8-9-22-19(12-15)25(23(32)30(22)14-18-20(27)6-3-7-21(18)28)31(10-11-34-25)24(33)29-17-5-2-4-16(26)13-17/h2-9,12-13H,10-11,14H2,1H3,(H,29,33).
What are the key properties of N-(3-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
N-(3-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide has a molecular weight of 499.97 g/mol, XLogP of 5.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is sourced from PubChem (CID 46016693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).