(2R)-N-cyclohexyl-5'-fluoro-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

C25H28FN3O2S — CID 93185028

IUPAC(2R)-N-cyclohexyl-5'-fluoro-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESCc1cccc(CN2C(=O)[C@]3(SCCN3C(=O)NC3CCCCC3)c3cc(F)ccc32)c1
InChIInChI=1S/C25H28FN3O2S/c1-17-6-5-7-18(14-17)16-28-22-11-10-19(26)15-21(22)25(23(28)30)29(12-13-32-25)24(31)27-20-8-3-2-4-9-20/h5-7,10-11,14-15,20H,2-4,8-9,12-13,16H2,1H3,(H,27,31)/t25-/m1/s1
InChIKeyFMBRKRSVSKBVKW-RUZDIDTESA-N
MW453.58 g/mol
LogP4.92
Rot. Bonds3

About (2R)-N-cyclohexyl-5'-fluoro-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

(2R)-N-cyclohexyl-5'-fluoro-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (PubChem CID 93185028) has the molecular formula C25H28FN3O2S and a molecular weight of 453.58 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-5'-fluoro-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-5'-fluoro-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
PubChem CID93185028
Molecular FormulaC25H28FN3O2S
Molecular Weight453.58 g/mol
Exact Mass453.19
IUPAC Name(2R)-N-cyclohexyl-5'-fluoro-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESCc1cccc(CN2C(=O)[C@]3(SCCN3C(=O)NC3CCCCC3)c3cc(F)ccc32)c1
InChIInChI=1S/C25H28FN3O2S/c1-17-6-5-7-18(14-17)16-28-22-11-10-19(26)15-21(22)25(23(28)30)29(12-13-32-25)24(31)27-20-8-3-2-4-9-20/h5-7,10-11,14-15,20H,2-4,8-9,12-13,16H2,1H3,(H,27,31)/t25-/m1/s1
InChIKeyFMBRKRSVSKBVKW-RUZDIDTESA-N
XLogP4.92
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.58
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-cyclohexyl-1'-[(3,4-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185750
N-cyclohexyl-1'-[(2,4-difluorophenyl)methyl]-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016709
(2R)-5'-fluoro-N-(3-methylphenyl)-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185010
N-ethyl-5'-methyl-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016456
(2S)-5'-fluoro-3-(4-methylbenzoyl)-1'-[(3-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186545
(2R)-5'-fluoro-N-(4-methoxyphenyl)-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93184993
(2R)-3-(cyclopentanecarbonyl)-5'-fluoro-1'-[(3-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186578
N-cyclohexyl-1'-[(2,4-difluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016679
(2R)-N-(3-fluorophenyl)-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93184644
(2S)-N-ethyl-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93184629
1'-benzyl-3-(cyclopentanecarbonyl)-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 42839193
5'-chloro-3-(3-fluorobenzoyl)-1'-[(3-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017038

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-5'-fluoro-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The IUPAC name of (2R)-N-cyclohexyl-5'-fluoro-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (CID 93185028) is (2R)-N-cyclohexyl-5'-fluoro-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.
What is the SMILES notation for (2R)-N-cyclohexyl-5'-fluoro-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The canonical SMILES for (2R)-N-cyclohexyl-5'-fluoro-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is Cc1cccc(CN2C(=O)[C@]3(SCCN3C(=O)NC3CCCCC3)c3cc(F)ccc32)c1.
What is the InChIKey of (2R)-N-cyclohexyl-5'-fluoro-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The InChIKey is FMBRKRSVSKBVKW-RUZDIDTESA-N. The full InChI is InChI=1S/C25H28FN3O2S/c1-17-6-5-7-18(14-17)16-28-22-11-10-19(26)15-21(22)25(23(28)30)29(12-13-32-25)24(31)27-20-8-3-2-4-9-20/h5-7,10-11,14-15,20H,2-4,8-9,12-13,16H2,1H3,(H,27,31)/t25-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-5'-fluoro-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
(2R)-N-cyclohexyl-5'-fluoro-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide has a molecular weight of 453.58 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-5'-fluoro-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is sourced from PubChem (CID 93185028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).