N-benzyl-2-[(2S)-3-(4-fluorophenyl)-7'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide

C26H22FN3O3S — CID 41198320

IUPACN-benzyl-2-[(2S)-3-(4-fluorophenyl)-7'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
SMILESCc1cccc2c1N(CC(=O)NCc1ccccc1)C(=O)[C@@]21SCC(=O)N1c1ccc(F)cc1
InChIInChI=1S/C26H22FN3O3S/c1-17-6-5-9-21-24(17)29(15-22(31)28-14-18-7-3-2-4-8-18)25(33)26(21)30(23(32)16-34-26)20-12-10-19(27)11-13-20/h2-13H,14-16H2,1H3,(H,28,31)/t26-/m0/s1
InChIKeyPRZOBBLTGVPNRC-SANMLTNESA-N
MW475.55 g/mol
LogP3.73
Rot. Bonds5

About N-benzyl-2-[(2S)-3-(4-fluorophenyl)-7'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide

N-benzyl-2-[(2S)-3-(4-fluorophenyl)-7'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide (PubChem CID 41198320) 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)-7'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(2S)-3-(4-fluorophenyl)-7'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
PubChem CID41198320
Molecular FormulaC26H22FN3O3S
Molecular Weight475.55 g/mol
Exact Mass475.14
IUPAC NameN-benzyl-2-[(2S)-3-(4-fluorophenyl)-7'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
SMILESCc1cccc2c1N(CC(=O)NCc1ccccc1)C(=O)[C@@]21SCC(=O)N1c1ccc(F)cc1
InChIInChI=1S/C26H22FN3O3S/c1-17-6-5-9-21-24(17)29(15-22(31)28-14-18-7-3-2-4-8-18)25(33)26(21)30(23(32)16-34-26)20-12-10-19(27)11-13-20/h2-13H,14-16H2,1H3,(H,28,31)/t26-/m0/s1
InChIKeyPRZOBBLTGVPNRC-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

N-benzyl-2-[(2S)-3-(4-fluorophenyl)-5'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 41198215
2-[3-(4-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 20922270
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]acetamide
CID 7245556
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
2-[3-(4-fluorophenyl)-5'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(2-methoxyphenyl)acetamide
CID 16823412
(2S)-1'-acetyl-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 42554574
N-(2-ethyl-6-methylphenyl)-2-[(2R)-3-(4-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 92692053
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-(3-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(furan-2-ylmethyl)acetamide
CID 92692062
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 N-benzyl-2-[(2S)-3-(4-fluorophenyl)-7'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide?
The IUPAC name of N-benzyl-2-[(2S)-3-(4-fluorophenyl)-7'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide (CID 41198320) is N-benzyl-2-[(2S)-3-(4-fluorophenyl)-7'-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)-7'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide?
The canonical SMILES for N-benzyl-2-[(2S)-3-(4-fluorophenyl)-7'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide is Cc1cccc2c1N(CC(=O)NCc1ccccc1)C(=O)[C@@]21SCC(=O)N1c1ccc(F)cc1.
What is the InChIKey of N-benzyl-2-[(2S)-3-(4-fluorophenyl)-7'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide?
The InChIKey is PRZOBBLTGVPNRC-SANMLTNESA-N. The full InChI is InChI=1S/C26H22FN3O3S/c1-17-6-5-9-21-24(17)29(15-22(31)28-14-18-7-3-2-4-8-18)25(33)26(21)30(23(32)16-34-26)20-12-10-19(27)11-13-20/h2-13H,14-16H2,1H3,(H,28,31)/t26-/m0/s1.
What are the key properties of N-benzyl-2-[(2S)-3-(4-fluorophenyl)-7'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide?
N-benzyl-2-[(2S)-3-(4-fluorophenyl)-7'-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)-7'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide is sourced from PubChem (CID 41198320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).