N-[(4-chlorophenyl)methyl]-2-[3-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide

C21H16ClN3O3S — CID 57489786

IUPACN-[(4-chlorophenyl)methyl]-2-[3-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide
SMILESO=C(Cn1cc(/C=C2/SC(=O)NC2=O)c2ccccc21)NCc1ccc(Cl)cc1
InChIInChI=1S/C21H16ClN3O3S/c22-15-7-5-13(6-8-15)10-23-19(26)12-25-11-14(16-3-1-2-4-17(16)25)9-18-20(27)24-21(28)29-18/h1-9,11H,10,12H2,(H,23,26)(H,24,27,28)/b18-9+
InChIKeyNFTVENFBGUITPH-GIJQJNRQSA-N
MW425.90 g/mol
LogP3.93
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-[3-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide

N-[(4-chlorophenyl)methyl]-2-[3-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide (PubChem CID 57489786) has the molecular formula C21H16ClN3O3S and a molecular weight of 425.90 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[3-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[3-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide
PubChem CID57489786
Molecular FormulaC21H16ClN3O3S
Molecular Weight425.90 g/mol
Exact Mass425.06
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[3-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide
SMILESO=C(Cn1cc(/C=C2/SC(=O)NC2=O)c2ccccc21)NCc1ccc(Cl)cc1
InChIInChI=1S/C21H16ClN3O3S/c22-15-7-5-13(6-8-15)10-23-19(26)12-25-11-14(16-3-1-2-4-17(16)25)9-18-20(27)24-21(28)29-18/h1-9,11H,10,12H2,(H,23,26)(H,24,27,28)/b18-9+
InChIKeyNFTVENFBGUITPH-GIJQJNRQSA-N
XLogP3.93
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.90
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze N-[(4-chlorophenyl)methyl]-2-[3-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[3-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide
CID 71951950
(5Z)-5-[[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126142654
3-[3-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]propanoic acid
CID 59122793
N-(furan-2-ylmethyl)-2-[3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide
CID 1321903
(E)-N-[(4-chlorophenyl)methyl]-3-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]prop-2-enamide
CID 59122872
5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 73473983
2-[5-bromo-3-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 126132598
N-benzyl-2-[3-[(Z)-(1-benzyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]indol-1-yl]acetamide
CID 1265951
N-benzyl-2-[3-[(1-benzyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]indol-1-yl]acetamide
CID 1265950
2-[3-[(Z)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]indol-1-yl]-N-phenylacetamide
CID 126107275
2-[3-[(Z)-[3-[2-(4-chloroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]-N-(4-fluorophenyl)acetamide
CID 126278617
2-[3-[(Z)-[3-[2-(4-chlorophenyl)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 126134489

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[3-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[3-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide (CID 57489786) is N-[(4-chlorophenyl)methyl]-2-[3-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[3-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[3-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide is O=C(Cn1cc(/C=C2/SC(=O)NC2=O)c2ccccc21)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[3-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide?
The InChIKey is NFTVENFBGUITPH-GIJQJNRQSA-N. The full InChI is InChI=1S/C21H16ClN3O3S/c22-15-7-5-13(6-8-15)10-23-19(26)12-25-11-14(16-3-1-2-4-17(16)25)9-18-20(27)24-21(28)29-18/h1-9,11H,10,12H2,(H,23,26)(H,24,27,28)/b18-9+.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[3-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide?
N-[(4-chlorophenyl)methyl]-2-[3-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide has a molecular weight of 425.90 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[3-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide is sourced from PubChem (CID 57489786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).