(2R)-N-(4-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

C25H20ClF2N3O2S — CID 93185659

IUPAC(2R)-N-(4-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESCc1ccc2c(c1)[C@@]1(SCCN1C(=O)Nc1ccc(Cl)cc1)C(=O)N2Cc1c(F)cccc1F
InChIInChI=1S/C25H20ClF2N3O2S/c1-15-5-10-22-19(13-15)25(23(32)30(22)14-18-20(27)3-2-4-21(18)28)31(11-12-34-25)24(33)29-17-8-6-16(26)7-9-17/h2-10,13H,11-12,14H2,1H3,(H,29,33)/t25-/m1/s1
InChIKeyIQEGVOITZQWWQZ-RUZDIDTESA-N
MW499.97 g/mol
LogP5.91
Rot. Bonds3

About (2R)-N-(4-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

(2R)-N-(4-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (PubChem CID 93185659) has the molecular formula C25H20ClF2N3O2S and a molecular weight of 499.97 g/mol. Its IUPAC name is (2R)-N-(4-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
PubChem CID93185659
Molecular FormulaC25H20ClF2N3O2S
Molecular Weight499.97 g/mol
Exact Mass499.09
IUPAC Name(2R)-N-(4-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESCc1ccc2c(c1)[C@@]1(SCCN1C(=O)Nc1ccc(Cl)cc1)C(=O)N2Cc1c(F)cccc1F
InChIInChI=1S/C25H20ClF2N3O2S/c1-15-5-10-22-19(13-15)25(23(32)30(22)14-18-20(27)3-2-4-21(18)28)31(11-12-34-25)24(33)29-17-8-6-16(26)7-9-17/h2-10,13H,11-12,14H2,1H3,(H,29,33)/t25-/m1/s1
InChIKeyIQEGVOITZQWWQZ-RUZDIDTESA-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

N-(3-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016693
(2R)-1'-[(2,6-difluorophenyl)methyl]-N-(4-methoxyphenyl)-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185643
(2R)-N-(4-chlorophenyl)-5'-methyl-1'-[(4-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93184836
(2S)-N-(4-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185542
N-(4-fluorophenyl)-1'-[(2-fluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016441
N-(3-chlorophenyl)-1'-[(3,4-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016712
1'-[(2,6-difluorophenyl)methyl]-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016666
N-(3-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016740
(2S)-1'-[(3,4-difluorophenyl)methyl]-5'-methyl-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185730
(2R)-1'-[(2,6-difluorophenyl)methyl]-5'-methoxy-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185842
(2R)-1'-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93184749
(2R)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187300

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The IUPAC name of (2R)-N-(4-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (CID 93185659) is (2R)-N-(4-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.
What is the SMILES notation for (2R)-N-(4-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The canonical SMILES for (2R)-N-(4-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)Nc1ccc(Cl)cc1)C(=O)N2Cc1c(F)cccc1F.
What is the InChIKey of (2R)-N-(4-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The InChIKey is IQEGVOITZQWWQZ-RUZDIDTESA-N. The full InChI is InChI=1S/C25H20ClF2N3O2S/c1-15-5-10-22-19(13-15)25(23(32)30(22)14-18-20(27)3-2-4-21(18)28)31(11-12-34-25)24(33)29-17-8-6-16(26)7-9-17/h2-10,13H,11-12,14H2,1H3,(H,29,33)/t25-/m1/s1.
What are the key properties of (2R)-N-(4-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
(2R)-N-(4-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 (2R)-N-(4-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is sourced from PubChem (CID 93185659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).