N-cyclohexyl-1'-[(2,4-difluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

C24H25F2N3O2S — CID 46016679

IUPACN-cyclohexyl-1'-[(2,4-difluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESO=C(NC1CCCCC1)N1CCSC12C(=O)N(Cc1ccc(F)cc1F)c1ccccc12
InChIInChI=1S/C24H25F2N3O2S/c25-17-11-10-16(20(26)14-17)15-28-21-9-5-4-8-19(21)24(22(28)30)29(12-13-32-24)23(31)27-18-6-2-1-3-7-18/h4-5,8-11,14,18H,1-3,6-7,12-13,15H2,(H,27,31)
InChIKeyHBDIXXVFAFSJDA-UHFFFAOYSA-N
MW457.55 g/mol
LogP4.76
Rot. Bonds3

About N-cyclohexyl-1'-[(2,4-difluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

N-cyclohexyl-1'-[(2,4-difluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (PubChem CID 46016679) has the molecular formula C24H25F2N3O2S and a molecular weight of 457.55 g/mol. Its IUPAC name is N-cyclohexyl-1'-[(2,4-difluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1'-[(2,4-difluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
PubChem CID46016679
Molecular FormulaC24H25F2N3O2S
Molecular Weight457.55 g/mol
Exact Mass457.16
IUPAC NameN-cyclohexyl-1'-[(2,4-difluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESO=C(NC1CCCCC1)N1CCSC12C(=O)N(Cc1ccc(F)cc1F)c1ccccc12
InChIInChI=1S/C24H25F2N3O2S/c25-17-11-10-16(20(26)14-17)15-28-21-9-5-4-8-19(21)24(22(28)30)29(12-13-32-24)23(31)27-18-6-2-1-3-7-18/h4-5,8-11,14,18H,1-3,6-7,12-13,15H2,(H,27,31)
InChIKeyHBDIXXVFAFSJDA-UHFFFAOYSA-N
XLogP4.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1'-[(2,4-difluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The IUPAC name of N-cyclohexyl-1'-[(2,4-difluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (CID 46016679) is N-cyclohexyl-1'-[(2,4-difluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1'-[(2,4-difluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1'-[(2,4-difluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is O=C(NC1CCCCC1)N1CCSC12C(=O)N(Cc1ccc(F)cc1F)c1ccccc12.
What is the InChIKey of N-cyclohexyl-1'-[(2,4-difluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The InChIKey is HBDIXXVFAFSJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O2S/c25-17-11-10-16(20(26)14-17)15-28-21-9-5-4-8-19(21)24(22(28)30)29(12-13-32-24)23(31)27-18-6-2-1-3-7-18/h4-5,8-11,14,18H,1-3,6-7,12-13,15H2,(H,27,31).
What are the key properties of N-cyclohexyl-1'-[(2,4-difluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
N-cyclohexyl-1'-[(2,4-difluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide has a molecular weight of 457.55 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1'-[(2,4-difluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is sourced from PubChem (CID 46016679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).