(3-methylphenyl)methyl 2-[(3Z)-5-chloro-3-(3-ethyl-2-methylidene-4-oxo-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetate

C24H21ClN2O4S — CID 160560225

IUPAC(3-methylphenyl)methyl 2-[(3Z)-5-chloro-3-(3-ethyl-2-methylidene-4-oxo-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetate
SMILESC=c1s/c(=C2\C(=O)N(CC(=O)OCc3cccc(C)c3)c3ccc(Cl)cc32)c(=O)n1CC
InChIInChI=1S/C24H21ClN2O4S/c1-4-26-15(3)32-22(24(26)30)21-18-11-17(25)8-9-19(18)27(23(21)29)12-20(28)31-13-16-7-5-6-14(2)10-16/h5-11H,3-4,12-13H2,1-2H3/b22-21-
InChIKeyIVOZGUFNTIJKQZ-DQRAZIAOSA-N
MW468.96 g/mol
LogP2.59
Rot. Bonds5

About (3-methylphenyl)methyl 2-[(3Z)-5-chloro-3-(3-ethyl-2-methylidene-4-oxo-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetate

(3-methylphenyl)methyl 2-[(3Z)-5-chloro-3-(3-ethyl-2-methylidene-4-oxo-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetate (PubChem CID 160560225) has the molecular formula C24H21ClN2O4S and a molecular weight of 468.96 g/mol. Its IUPAC name is (3-methylphenyl)methyl 2-[(3Z)-5-chloro-3-(3-ethyl-2-methylidene-4-oxo-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetate.

Molecular Properties

Compound Name(3-methylphenyl)methyl 2-[(3Z)-5-chloro-3-(3-ethyl-2-methylidene-4-oxo-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetate
PubChem CID160560225
Molecular FormulaC24H21ClN2O4S
Molecular Weight468.96 g/mol
Exact Mass468.09
IUPAC Name(3-methylphenyl)methyl 2-[(3Z)-5-chloro-3-(3-ethyl-2-methylidene-4-oxo-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetate
SMILESC=c1s/c(=C2\C(=O)N(CC(=O)OCc3cccc(C)c3)c3ccc(Cl)cc32)c(=O)n1CC
InChIInChI=1S/C24H21ClN2O4S/c1-4-26-15(3)32-22(24(26)30)21-18-11-17(25)8-9-19(18)27(23(21)29)12-20(28)31-13-16-7-5-6-14(2)10-16/h5-11H,3-4,12-13H2,1-2H3/b22-21-
InChIKeyIVOZGUFNTIJKQZ-DQRAZIAOSA-N
XLogP2.59
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.96
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-methylphenyl)methyl 2-[(3Z)-5-chloro-3-(3-ethyl-2-methylidene-4-oxo-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetate 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-methylphenyl)methyl 2-[(3Z)-5-chloro-3-(3-ethyl-2-methylidene-4-oxo-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetate?
The IUPAC name of (3-methylphenyl)methyl 2-[(3Z)-5-chloro-3-(3-ethyl-2-methylidene-4-oxo-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetate (CID 160560225) is (3-methylphenyl)methyl 2-[(3Z)-5-chloro-3-(3-ethyl-2-methylidene-4-oxo-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetate.
What is the SMILES notation for (3-methylphenyl)methyl 2-[(3Z)-5-chloro-3-(3-ethyl-2-methylidene-4-oxo-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetate?
The canonical SMILES for (3-methylphenyl)methyl 2-[(3Z)-5-chloro-3-(3-ethyl-2-methylidene-4-oxo-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetate is C=c1s/c(=C2\C(=O)N(CC(=O)OCc3cccc(C)c3)c3ccc(Cl)cc32)c(=O)n1CC.
What is the InChIKey of (3-methylphenyl)methyl 2-[(3Z)-5-chloro-3-(3-ethyl-2-methylidene-4-oxo-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetate?
The InChIKey is IVOZGUFNTIJKQZ-DQRAZIAOSA-N. The full InChI is InChI=1S/C24H21ClN2O4S/c1-4-26-15(3)32-22(24(26)30)21-18-11-17(25)8-9-19(18)27(23(21)29)12-20(28)31-13-16-7-5-6-14(2)10-16/h5-11H,3-4,12-13H2,1-2H3/b22-21-.
What are the key properties of (3-methylphenyl)methyl 2-[(3Z)-5-chloro-3-(3-ethyl-2-methylidene-4-oxo-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetate?
(3-methylphenyl)methyl 2-[(3Z)-5-chloro-3-(3-ethyl-2-methylidene-4-oxo-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetate has a molecular weight of 468.96 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)methyl 2-[(3Z)-5-chloro-3-(3-ethyl-2-methylidene-4-oxo-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetate is sourced from PubChem (CID 160560225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).