1'-[(3,4-difluorophenyl)methyl]-3-(3-methoxybenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one

C26H22F2N2O3S — CID 46017343

IUPAC1'-[(3,4-difluorophenyl)methyl]-3-(3-methoxybenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCOc1cccc(C(=O)N2CCSC23C(=O)N(Cc2ccc(F)c(F)c2)c2ccc(C)cc23)c1
InChIInChI=1S/C26H22F2N2O3S/c1-16-6-9-23-20(12-16)26(25(32)29(23)15-17-7-8-21(27)22(28)13-17)30(10-11-34-26)24(31)18-4-3-5-19(14-18)33-2/h3-9,12-14H,10-11,15H2,1-2H3
InChIKeySFUJYGVYFJJOPY-UHFFFAOYSA-N
MW480.54 g/mol
LogP4.87
Rot. Bonds4

About 1'-[(3,4-difluorophenyl)methyl]-3-(3-methoxybenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one

1'-[(3,4-difluorophenyl)methyl]-3-(3-methoxybenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 46017343) has the molecular formula C26H22F2N2O3S and a molecular weight of 480.54 g/mol. Its IUPAC name is 1'-[(3,4-difluorophenyl)methyl]-3-(3-methoxybenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[(3,4-difluorophenyl)methyl]-3-(3-methoxybenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
PubChem CID46017343
Molecular FormulaC26H22F2N2O3S
Molecular Weight480.54 g/mol
Exact Mass480.13
IUPAC Name1'-[(3,4-difluorophenyl)methyl]-3-(3-methoxybenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCOc1cccc(C(=O)N2CCSC23C(=O)N(Cc2ccc(F)c(F)c2)c2ccc(C)cc23)c1
InChIInChI=1S/C26H22F2N2O3S/c1-16-6-9-23-20(12-16)26(25(32)29(23)15-17-7-8-21(27)22(28)13-17)30(10-11-34-26)24(31)18-4-3-5-19(14-18)33-2/h3-9,12-14H,10-11,15H2,1-2H3
InChIKeySFUJYGVYFJJOPY-UHFFFAOYSA-N
XLogP4.87
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-[(3,4-difluorophenyl)methyl]-5'-methyl-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017335
(2R)-3-(4-chlorobenzoyl)-1'-[(3-methoxyphenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186464
(2R)-3-(4-chlorobenzoyl)-1'-[(3,4-difluorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187367
1'-benzyl-5'-chloro-3-(3-methoxybenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015597
(2R)-1'-[(2,6-difluorophenyl)methyl]-3-(4-methoxybenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187296
(2S)-3-(3-methoxybenzoyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186213
(2S)-1'-[(3,4-difluorophenyl)methyl]-5'-methyl-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187358
(2R)-3-benzoyl-1'-[(3-fluorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186378
(2S)-3-(4-fluorobenzoyl)-5'-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187069
(2S)-3-(4-chlorobenzoyl)-5'-methoxy-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186929
(2S)-1'-[(3,4-difluorophenyl)methyl]-5'-methoxy-N-(3-methoxyphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185874
(2R)-1'-[(3,4-difluorophenyl)methyl]-3-(furan-2-carbonyl)-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187502

Frequently Asked Questions

What is the IUPAC name of 1'-[(3,4-difluorophenyl)methyl]-3-(3-methoxybenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The IUPAC name of 1'-[(3,4-difluorophenyl)methyl]-3-(3-methoxybenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 46017343) is 1'-[(3,4-difluorophenyl)methyl]-3-(3-methoxybenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-[(3,4-difluorophenyl)methyl]-3-(3-methoxybenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The canonical SMILES for 1'-[(3,4-difluorophenyl)methyl]-3-(3-methoxybenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one is COc1cccc(C(=O)N2CCSC23C(=O)N(Cc2ccc(F)c(F)c2)c2ccc(C)cc23)c1.
What is the InChIKey of 1'-[(3,4-difluorophenyl)methyl]-3-(3-methoxybenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The InChIKey is SFUJYGVYFJJOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N2O3S/c1-16-6-9-23-20(12-16)26(25(32)29(23)15-17-7-8-21(27)22(28)13-17)30(10-11-34-26)24(31)18-4-3-5-19(14-18)33-2/h3-9,12-14H,10-11,15H2,1-2H3.
What are the key properties of 1'-[(3,4-difluorophenyl)methyl]-3-(3-methoxybenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
1'-[(3,4-difluorophenyl)methyl]-3-(3-methoxybenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one has a molecular weight of 480.54 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(3,4-difluorophenyl)methyl]-3-(3-methoxybenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 46017343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).