4'-(4-fluorophenyl)-5-methoxy-1'-methyl-3'-(thiophene-2-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one

C24H21FN2O3S — CID 46924817

IUPAC4'-(4-fluorophenyl)-5-methoxy-1'-methyl-3'-(thiophene-2-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)C1(C(=O)N2)C(C(=O)c2cccs2)C(c2ccc(F)cc2)CN1C
InChIInChI=1S/C24H21FN2O3S/c1-27-13-17(14-5-7-15(25)8-6-14)21(22(28)20-4-3-11-31-20)24(27)18-12-16(30-2)9-10-19(18)26-23(24)29/h3-12,17,21H,13H2,1-2H3,(H,26,29)
InChIKeyCAJXGAXDSCKSON-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.27
Rot. Bonds4

About 4'-(4-fluorophenyl)-5-methoxy-1'-methyl-3'-(thiophene-2-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one

4'-(4-fluorophenyl)-5-methoxy-1'-methyl-3'-(thiophene-2-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one (PubChem CID 46924817) has the molecular formula C24H21FN2O3S and a molecular weight of 436.51 g/mol. Its IUPAC name is 4'-(4-fluorophenyl)-5-methoxy-1'-methyl-3'-(thiophene-2-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one.

Molecular Properties

Compound Name4'-(4-fluorophenyl)-5-methoxy-1'-methyl-3'-(thiophene-2-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one
PubChem CID46924817
Molecular FormulaC24H21FN2O3S
Molecular Weight436.51 g/mol
Exact Mass436.13
IUPAC Name4'-(4-fluorophenyl)-5-methoxy-1'-methyl-3'-(thiophene-2-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)C1(C(=O)N2)C(C(=O)c2cccs2)C(c2ccc(F)cc2)CN1C
InChIInChI=1S/C24H21FN2O3S/c1-27-13-17(14-5-7-15(25)8-6-14)21(22(28)20-4-3-11-31-20)24(27)18-12-16(30-2)9-10-19(18)26-23(24)29/h3-12,17,21H,13H2,1-2H3,(H,26,29)
InChIKeyCAJXGAXDSCKSON-UHFFFAOYSA-N
XLogP4.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4'-(4-fluorophenyl)-5-methoxy-1'-methyl-3'-(thiophene-2-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one?
The IUPAC name of 4'-(4-fluorophenyl)-5-methoxy-1'-methyl-3'-(thiophene-2-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one (CID 46924817) is 4'-(4-fluorophenyl)-5-methoxy-1'-methyl-3'-(thiophene-2-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one.
What is the SMILES notation for 4'-(4-fluorophenyl)-5-methoxy-1'-methyl-3'-(thiophene-2-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one?
The canonical SMILES for 4'-(4-fluorophenyl)-5-methoxy-1'-methyl-3'-(thiophene-2-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one is COc1ccc2c(c1)C1(C(=O)N2)C(C(=O)c2cccs2)C(c2ccc(F)cc2)CN1C.
What is the InChIKey of 4'-(4-fluorophenyl)-5-methoxy-1'-methyl-3'-(thiophene-2-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one?
The InChIKey is CAJXGAXDSCKSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O3S/c1-27-13-17(14-5-7-15(25)8-6-14)21(22(28)20-4-3-11-31-20)24(27)18-12-16(30-2)9-10-19(18)26-23(24)29/h3-12,17,21H,13H2,1-2H3,(H,26,29).
What are the key properties of 4'-(4-fluorophenyl)-5-methoxy-1'-methyl-3'-(thiophene-2-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one?
4'-(4-fluorophenyl)-5-methoxy-1'-methyl-3'-(thiophene-2-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one has a molecular weight of 436.51 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(4-fluorophenyl)-5-methoxy-1'-methyl-3'-(thiophene-2-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one is sourced from PubChem (CID 46924817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).