3-(3-methylbutyl)-5-[2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-2-oxoethyl]-2-phenyl-1,3-thiazolidin-4-one

C29H35N3O3S — CID 59555205

IUPAC3-(3-methylbutyl)-5-[2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-2-oxoethyl]-2-phenyl-1,3-thiazolidin-4-one
SMILESCC(C)CCN1C(=O)C(CC(=O)N2CCC3(CC2)C(=O)N(C)c2ccccc23)SC1c1ccccc1
InChIInChI=1S/C29H35N3O3S/c1-20(2)13-16-32-26(34)24(36-27(32)21-9-5-4-6-10-21)19-25(33)31-17-14-29(15-18-31)22-11-7-8-12-23(22)30(3)28(29)35/h4-12,20,24,27H,13-19H2,1-3H3
InChIKeyLRJHNIRHQJLRBX-UHFFFAOYSA-N
MW505.68 g/mol
LogP4.60
Rot. Bonds6

About 3-(3-methylbutyl)-5-[2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-2-oxoethyl]-2-phenyl-1,3-thiazolidin-4-one

3-(3-methylbutyl)-5-[2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-2-oxoethyl]-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 59555205) has the molecular formula C29H35N3O3S and a molecular weight of 505.68 g/mol. Its IUPAC name is 3-(3-methylbutyl)-5-[2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-2-oxoethyl]-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-methylbutyl)-5-[2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-2-oxoethyl]-2-phenyl-1,3-thiazolidin-4-one
PubChem CID59555205
Molecular FormulaC29H35N3O3S
Molecular Weight505.68 g/mol
Exact Mass505.24
IUPAC Name3-(3-methylbutyl)-5-[2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-2-oxoethyl]-2-phenyl-1,3-thiazolidin-4-one
SMILESCC(C)CCN1C(=O)C(CC(=O)N2CCC3(CC2)C(=O)N(C)c2ccccc23)SC1c1ccccc1
InChIInChI=1S/C29H35N3O3S/c1-20(2)13-16-32-26(34)24(36-27(32)21-9-5-4-6-10-21)19-25(33)31-17-14-29(15-18-31)22-11-7-8-12-23(22)30(3)28(29)35/h4-12,20,24,27H,13-19H2,1-3H3
InChIKeyLRJHNIRHQJLRBX-UHFFFAOYSA-N
XLogP4.60
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.68
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3-methylbutyl)-5-[2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-2-oxoethyl]-2-phenyl-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutyl)-5-[2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-2-oxoethyl]-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-methylbutyl)-5-[2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-2-oxoethyl]-2-phenyl-1,3-thiazolidin-4-one (CID 59555205) is 3-(3-methylbutyl)-5-[2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-2-oxoethyl]-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-methylbutyl)-5-[2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-2-oxoethyl]-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-methylbutyl)-5-[2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-2-oxoethyl]-2-phenyl-1,3-thiazolidin-4-one is CC(C)CCN1C(=O)C(CC(=O)N2CCC3(CC2)C(=O)N(C)c2ccccc23)SC1c1ccccc1.
What is the InChIKey of 3-(3-methylbutyl)-5-[2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-2-oxoethyl]-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is LRJHNIRHQJLRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O3S/c1-20(2)13-16-32-26(34)24(36-27(32)21-9-5-4-6-10-21)19-25(33)31-17-14-29(15-18-31)22-11-7-8-12-23(22)30(3)28(29)35/h4-12,20,24,27H,13-19H2,1-3H3.
What are the key properties of 3-(3-methylbutyl)-5-[2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-2-oxoethyl]-2-phenyl-1,3-thiazolidin-4-one?
3-(3-methylbutyl)-5-[2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-2-oxoethyl]-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 505.68 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutyl)-5-[2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-2-oxoethyl]-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 59555205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).