2-[(2R)-3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methoxyphenyl)acetamide

C25H19F2N3O4S — CID 51608192

IUPAC2-[(2R)-3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)[C@]3(SCC(=O)N3c3ccc(F)c(F)c3)c3ccccc32)cc1
InChIInChI=1S/C25H19F2N3O4S/c1-34-17-9-6-15(7-10-17)28-22(31)13-29-21-5-3-2-4-18(21)25(24(29)33)30(23(32)14-35-25)16-8-11-19(26)20(27)12-16/h2-12H,13-14H2,1H3,(H,28,31)/t25-/m1/s1
InChIKeyITJUCSVWNMWMOB-RUZDIDTESA-N
MW495.51 g/mol
LogP3.89
Rot. Bonds5

About 2-[(2R)-3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methoxyphenyl)acetamide

2-[(2R)-3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 51608192) has the molecular formula C25H19F2N3O4S and a molecular weight of 495.51 g/mol. Its IUPAC name is 2-[(2R)-3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID51608192
Molecular FormulaC25H19F2N3O4S
Molecular Weight495.51 g/mol
Exact Mass495.11
IUPAC Name2-[(2R)-3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)[C@]3(SCC(=O)N3c3ccc(F)c(F)c3)c3ccccc32)cc1
InChIInChI=1S/C25H19F2N3O4S/c1-34-17-9-6-15(7-10-17)28-22(31)13-29-21-5-3-2-4-18(21)25(24(29)33)30(23(32)14-35-25)16-8-11-19(26)20(27)12-16/h2-12H,13-14H2,1H3,(H,28,31)/t25-/m1/s1
InChIKeyITJUCSVWNMWMOB-RUZDIDTESA-N
XLogP3.89
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.51
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-3-(4-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methoxyphenyl)acetamide
CID 92692090
N-(4-fluorophenyl)-2-[(2R)-3-(4-methoxyphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 51608180
N-(4-chlorophenyl)-2-[3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 20922395
2-[(2R)-3-(3-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methoxyphenyl)acetamide
CID 92692077
2-[(2S)-3-(3-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methoxyphenyl)acetamide
CID 92692076
N-(4-methoxyphenyl)-2-[(2R)-3-(4-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 92692039
N-(4-chlorophenyl)-2-[3-(3-methoxyphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 20922384
N-(3,5-dimethoxyphenyl)-2-[(2R)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 92691979
2-[3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-phenylacetamide
CID 20922333
N-(3,4-dimethylphenyl)-2-[3-(3,4-dimethylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 20922352
2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-ethylphenyl)acetamide
CID 41434580
2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methylphenyl)acetamide
CID 92691950

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(2R)-3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methoxyphenyl)acetamide (CID 51608192) is 2-[(2R)-3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2R)-3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(2R)-3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN2C(=O)[C@]3(SCC(=O)N3c3ccc(F)c(F)c3)c3ccccc32)cc1.
What is the InChIKey of 2-[(2R)-3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is ITJUCSVWNMWMOB-RUZDIDTESA-N. The full InChI is InChI=1S/C25H19F2N3O4S/c1-34-17-9-6-15(7-10-17)28-22(31)13-29-21-5-3-2-4-18(21)25(24(29)33)30(23(32)14-35-25)16-8-11-19(26)20(27)12-16/h2-12H,13-14H2,1H3,(H,28,31)/t25-/m1/s1.
What are the key properties of 2-[(2R)-3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methoxyphenyl)acetamide?
2-[(2R)-3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 495.51 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 51608192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).