N-benzyl-2-[(2S)-3-(4-fluorophenyl)-5'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide

C26H22FN3O3S — CID 41198215

IUPACN-benzyl-2-[(2S)-3-(4-fluorophenyl)-5'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
SMILESCc1ccc2c(c1)[C@]1(SCC(=O)N1c1ccc(F)cc1)C(=O)N2CC(=O)NCc1ccccc1
InChIInChI=1S/C26H22FN3O3S/c1-17-7-12-22-21(13-17)26(30(24(32)16-34-26)20-10-8-19(27)9-11-20)25(33)29(22)15-23(31)28-14-18-5-3-2-4-6-18/h2-13H,14-16H2,1H3,(H,28,31)/t26-/m0/s1
InChIKeyHFXUUCSJWNBYTM-SANMLTNESA-N
MW475.55 g/mol
LogP3.73
Rot. Bonds5

About N-benzyl-2-[(2S)-3-(4-fluorophenyl)-5'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide

N-benzyl-2-[(2S)-3-(4-fluorophenyl)-5'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide (PubChem CID 41198215) has the molecular formula C26H22FN3O3S and a molecular weight of 475.55 g/mol. Its IUPAC name is N-benzyl-2-[(2S)-3-(4-fluorophenyl)-5'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(2S)-3-(4-fluorophenyl)-5'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
PubChem CID41198215
Molecular FormulaC26H22FN3O3S
Molecular Weight475.55 g/mol
Exact Mass475.14
IUPAC NameN-benzyl-2-[(2S)-3-(4-fluorophenyl)-5'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
SMILESCc1ccc2c(c1)[C@]1(SCC(=O)N1c1ccc(F)cc1)C(=O)N2CC(=O)NCc1ccccc1
InChIInChI=1S/C26H22FN3O3S/c1-17-7-12-22-21(13-17)26(30(24(32)16-34-26)20-10-8-19(27)9-11-20)25(33)29(22)15-23(31)28-14-18-5-3-2-4-6-18/h2-13H,14-16H2,1H3,(H,28,31)/t26-/m0/s1
InChIKeyHFXUUCSJWNBYTM-SANMLTNESA-N
XLogP3.73
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 20922270
N-benzyl-2-[(2S)-3-(4-fluorophenyl)-7'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 41198320
2-[3-(4-fluorophenyl)-5'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(2-methoxyphenyl)acetamide
CID 16823412
N-(2,4-dimethylphenyl)-2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 92691974
2-[(2S)-3-(4-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 7245556
2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methylphenyl)acetamide
CID 92691950
2-[(2S)-3-(4-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(2-methoxyphenyl)acetamide
CID 51608067
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-(2,4-difluorophenyl)-2-[(2R)-3-(3,4-dimethylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 51608204
2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(2,4-dimethylphenyl)acetamide
CID 51608099
2-[(2S)-3-(3-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(furan-2-ylmethyl)acetamide
CID 92692062

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2S)-3-(4-fluorophenyl)-5'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide?
The IUPAC name of N-benzyl-2-[(2S)-3-(4-fluorophenyl)-5'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide (CID 41198215) is N-benzyl-2-[(2S)-3-(4-fluorophenyl)-5'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[(2S)-3-(4-fluorophenyl)-5'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide?
The canonical SMILES for N-benzyl-2-[(2S)-3-(4-fluorophenyl)-5'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide is Cc1ccc2c(c1)[C@]1(SCC(=O)N1c1ccc(F)cc1)C(=O)N2CC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(2S)-3-(4-fluorophenyl)-5'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide?
The InChIKey is HFXUUCSJWNBYTM-SANMLTNESA-N. The full InChI is InChI=1S/C26H22FN3O3S/c1-17-7-12-22-21(13-17)26(30(24(32)16-34-26)20-10-8-19(27)9-11-20)25(33)29(22)15-23(31)28-14-18-5-3-2-4-6-18/h2-13H,14-16H2,1H3,(H,28,31)/t26-/m0/s1.
What are the key properties of N-benzyl-2-[(2S)-3-(4-fluorophenyl)-5'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide?
N-benzyl-2-[(2S)-3-(4-fluorophenyl)-5'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide has a molecular weight of 475.55 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2S)-3-(4-fluorophenyl)-5'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide is sourced from PubChem (CID 41198215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).