ethyl 1-ethyl-5,7-dimethyl-2-oxo-5'-phenyliminospiro[indole-3,4'-thiophene]-3'-carboxylate

C24H24N2O3S — CID 132584763

IUPACethyl 1-ethyl-5,7-dimethyl-2-oxo-5'-phenyliminospiro[indole-3,4'-thiophene]-3'-carboxylate
SMILESCCOC(=O)C1=CS/C(=N\c2ccccc2)C12C(=O)N(CC)c1c(C)cc(C)cc12
InChIInChI=1S/C24H24N2O3S/c1-5-26-20-16(4)12-15(3)13-18(20)24(23(26)28)19(21(27)29-6-2)14-30-22(24)25-17-10-8-7-9-11-17/h7-14H,5-6H2,1-4H3/b25-22-
InChIKeyHRWLKUUMSSYVEK-LVWGJNHUSA-N
MW420.53 g/mol
LogP4.83
Rot. Bonds4

About ethyl 1-ethyl-5,7-dimethyl-2-oxo-5'-phenyliminospiro[indole-3,4'-thiophene]-3'-carboxylate

ethyl 1-ethyl-5,7-dimethyl-2-oxo-5'-phenyliminospiro[indole-3,4'-thiophene]-3'-carboxylate (PubChem CID 132584763) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is ethyl 1-ethyl-5,7-dimethyl-2-oxo-5'-phenyliminospiro[indole-3,4'-thiophene]-3'-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-5,7-dimethyl-2-oxo-5'-phenyliminospiro[indole-3,4'-thiophene]-3'-carboxylate
PubChem CID132584763
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Nameethyl 1-ethyl-5,7-dimethyl-2-oxo-5'-phenyliminospiro[indole-3,4'-thiophene]-3'-carboxylate
SMILESCCOC(=O)C1=CS/C(=N\c2ccccc2)C12C(=O)N(CC)c1c(C)cc(C)cc12
InChIInChI=1S/C24H24N2O3S/c1-5-26-20-16(4)12-15(3)13-18(20)24(23(26)28)19(21(27)29-6-2)14-30-22(24)25-17-10-8-7-9-11-17/h7-14H,5-6H2,1-4H3/b25-22-
InChIKeyHRWLKUUMSSYVEK-LVWGJNHUSA-N
XLogP4.83
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-ethyl-5-methyl-2-oxo-5'-phenyliminospiro[indole-3,4'-thiophene]-3'-carboxylate
CID 132584761
ethyl 1-ethyl-5-fluoro-2-oxo-5'-phenyliminospiro[indole-3,4'-thiophene]-3'-carboxylate
CID 132584756
ethyl 6-chloro-1-ethyl-2-oxo-5'-phenyliminospiro[indole-3,4'-thiophene]-3'-carboxylate
CID 132584751
ethyl 1-ethyl-5-nitro-2-oxo-5'-phenyliminospiro[indole-3,4'-thiophene]-3'-carboxylate
CID 132584760
(3S)-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)-1-(3-phenoxypropyl)indol-2-one
CID 41015525
3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)-1-propylindol-2-one
CID 18888342
22-ethyl-22-azahexacyclo[6.6.6.31,8.02,7.09,14.015,20]tricosa-2,4,6,9,11,13,15,17,19-nonaene-21,23-dione
CID 102027308
ethyl 2,5-dioxo-3-phenyliminopyrrolidine-1-carboxylate
CID 57177194
N-[4-acetyl-5',7'-dimethyl-2'-oxo-1'-(3-phenoxypropyl)spiro[1,3,4-thiadiazole-5,3'-indole]-2-yl]acetamide
CID 22696343
ethyl 3-ethyl-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 6613464
3-O'-ethyl 5-O'-prop-2-enyl 2'-amino-1-ethyl-6'-methyl-2-oxospiro[indole-3,4'-pyran]-3',5'-dicarboxylate
CID 17273075
ethyl 6'-amino-3',5,7-trimethyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carboxylate
CID 56927422

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-5,7-dimethyl-2-oxo-5'-phenyliminospiro[indole-3,4'-thiophene]-3'-carboxylate?
The IUPAC name of ethyl 1-ethyl-5,7-dimethyl-2-oxo-5'-phenyliminospiro[indole-3,4'-thiophene]-3'-carboxylate (CID 132584763) is ethyl 1-ethyl-5,7-dimethyl-2-oxo-5'-phenyliminospiro[indole-3,4'-thiophene]-3'-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-5,7-dimethyl-2-oxo-5'-phenyliminospiro[indole-3,4'-thiophene]-3'-carboxylate?
The canonical SMILES for ethyl 1-ethyl-5,7-dimethyl-2-oxo-5'-phenyliminospiro[indole-3,4'-thiophene]-3'-carboxylate is CCOC(=O)C1=CS/C(=N\c2ccccc2)C12C(=O)N(CC)c1c(C)cc(C)cc12.
What is the InChIKey of ethyl 1-ethyl-5,7-dimethyl-2-oxo-5'-phenyliminospiro[indole-3,4'-thiophene]-3'-carboxylate?
The InChIKey is HRWLKUUMSSYVEK-LVWGJNHUSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-5-26-20-16(4)12-15(3)13-18(20)24(23(26)28)19(21(27)29-6-2)14-30-22(24)25-17-10-8-7-9-11-17/h7-14H,5-6H2,1-4H3/b25-22-.
What are the key properties of ethyl 1-ethyl-5,7-dimethyl-2-oxo-5'-phenyliminospiro[indole-3,4'-thiophene]-3'-carboxylate?
ethyl 1-ethyl-5,7-dimethyl-2-oxo-5'-phenyliminospiro[indole-3,4'-thiophene]-3'-carboxylate has a molecular weight of 420.53 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-5,7-dimethyl-2-oxo-5'-phenyliminospiro[indole-3,4'-thiophene]-3'-carboxylate is sourced from PubChem (CID 132584763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).