2-[3-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]-7-ethylindol-1-yl]-N-(furan-2-ylmethyl)acetamide

C24H25N3O4S — CID 126151716

IUPAC2-[3-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]-7-ethylindol-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCCc1cccc2c(/C=C3\SC(=O)N(C(C)C)C3=O)cn(CC(=O)NCc3ccco3)c12
InChIInChI=1S/C24H25N3O4S/c1-4-16-7-5-9-19-17(11-20-23(29)27(15(2)3)24(30)32-20)13-26(22(16)19)14-21(28)25-12-18-8-6-10-31-18/h5-11,13,15H,4,12,14H2,1-3H3,(H,25,28)/b20-11-
InChIKeyIDQNSMCJGDNSBJ-JAIQZWGSSA-N
MW451.55 g/mol
LogP4.56
Rot. Bonds7

About 2-[3-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]-7-ethylindol-1-yl]-N-(furan-2-ylmethyl)acetamide

2-[3-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]-7-ethylindol-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 126151716) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 2-[3-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]-7-ethylindol-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]-7-ethylindol-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID126151716
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name2-[3-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]-7-ethylindol-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCCc1cccc2c(/C=C3\SC(=O)N(C(C)C)C3=O)cn(CC(=O)NCc3ccco3)c12
InChIInChI=1S/C24H25N3O4S/c1-4-16-7-5-9-19-17(11-20-23(29)27(15(2)3)24(30)32-20)13-26(22(16)19)14-21(28)25-12-18-8-6-10-31-18/h5-11,13,15H,4,12,14H2,1-3H3,(H,25,28)/b20-11-
InChIKeyIDQNSMCJGDNSBJ-JAIQZWGSSA-N
XLogP4.56
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(Z)-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene)methyl]-7-ethylindol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 126132412
2-[3-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]-7-ethylindol-1-yl]-N-(3-methoxypropyl)acetamide
CID 126131391
2-[3-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]-7-ethylindol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 126134649
2-[3-[(Z)-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene)methyl]-7-ethylindol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 126136713
2-[7-ethyl-3-[(Z)-[3-[(2-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 126149733
2-[3-[(Z)-(2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-ylidene)methyl]-7-ethylindol-1-yl]-N-(2-methoxyethyl)acetamide
CID 126141157
N-(furan-2-ylmethyl)-2-[3-[(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide
CID 1417203
2-[7-ethyl-3-[(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide
CID 3441222
methyl 2-[(5Z)-3-(4-ethoxyphenyl)-5-[[7-ethyl-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]indol-3-yl]methylidene]-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate
CID 126132865
N-(furan-2-ylmethyl)-2-[3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide
CID 1321903
2-[5-bromo-3-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 126133648
2-[7-ethyl-3-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]-N-(3-methoxypropyl)acetamide
CID 126148167

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]-7-ethylindol-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]-7-ethylindol-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 126151716) is 2-[3-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]-7-ethylindol-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]-7-ethylindol-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]-7-ethylindol-1-yl]-N-(furan-2-ylmethyl)acetamide is CCc1cccc2c(/C=C3\SC(=O)N(C(C)C)C3=O)cn(CC(=O)NCc3ccco3)c12.
What is the InChIKey of 2-[3-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]-7-ethylindol-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is IDQNSMCJGDNSBJ-JAIQZWGSSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-4-16-7-5-9-19-17(11-20-23(29)27(15(2)3)24(30)32-20)13-26(22(16)19)14-21(28)25-12-18-8-6-10-31-18/h5-11,13,15H,4,12,14H2,1-3H3,(H,25,28)/b20-11-.
What are the key properties of 2-[3-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]-7-ethylindol-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[3-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]-7-ethylindol-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 451.55 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]-7-ethylindol-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 126151716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).