2-[3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide

C23H23ClN4O2S — CID 19058200

IUPAC2-[3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
SMILESCCN1C(=O)C(CC(=O)Nc2ccc3cc[nH]c3c2)N(CCc2ccc(Cl)cc2)C1=S
InChIInChI=1S/C23H23ClN4O2S/c1-2-27-22(30)20(28(23(27)31)12-10-15-3-6-17(24)7-4-15)14-21(29)26-18-8-5-16-9-11-25-19(16)13-18/h3-9,11,13,20,25H,2,10,12,14H2,1H3,(H,26,29)
InChIKeyDFKPHLUMKLTJFD-UHFFFAOYSA-N
MW454.98 g/mol
LogP4.21
Rot. Bonds7

About 2-[3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide

2-[3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide (PubChem CID 19058200) has the molecular formula C23H23ClN4O2S and a molecular weight of 454.98 g/mol. Its IUPAC name is 2-[3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide.

Molecular Properties

Compound Name2-[3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
PubChem CID19058200
Molecular FormulaC23H23ClN4O2S
Molecular Weight454.98 g/mol
Exact Mass454.12
IUPAC Name2-[3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
SMILESCCN1C(=O)C(CC(=O)Nc2ccc3cc[nH]c3c2)N(CCc2ccc(Cl)cc2)C1=S
InChIInChI=1S/C23H23ClN4O2S/c1-2-27-22(30)20(28(23(27)31)12-10-15-3-6-17(24)7-4-15)14-21(29)26-18-8-5-16-9-11-25-19(16)13-18/h3-9,11,13,20,25H,2,10,12,14H2,1H3,(H,26,29)
InChIKeyDFKPHLUMKLTJFD-UHFFFAOYSA-N
XLogP4.21
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.98
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3-ethoxypropyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
CID 19058182
2-(3-tert-butyl-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide
CID 19058194
N-(1H-indol-6-yl)-2-[1-(4-methylphenyl)-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 19058249
2-[1-ethyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
CID 4012319
2-[(4S)-1-ethyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 7025975
N-(4-chlorophenyl)-2-[(4R)-3-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 1261231
2-[(4S)-1-benzyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide
CID 29010399
N-(4-chlorophenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 3756271
2-[1-cyclopropyl-3-(3-ethoxypropyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
CID 19058337
N-(4-chlorophenyl)-2-[(4R)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-1-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 26525219
ethyl 4-[[2-[(4S)-3-[(4-chlorophenyl)methyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 40877917
N-(1H-indol-6-yl)-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75531649

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide?
The IUPAC name of 2-[3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide (CID 19058200) is 2-[3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide.
What is the SMILES notation for 2-[3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide?
The canonical SMILES for 2-[3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide is CCN1C(=O)C(CC(=O)Nc2ccc3cc[nH]c3c2)N(CCc2ccc(Cl)cc2)C1=S.
What is the InChIKey of 2-[3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide?
The InChIKey is DFKPHLUMKLTJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2S/c1-2-27-22(30)20(28(23(27)31)12-10-15-3-6-17(24)7-4-15)14-21(29)26-18-8-5-16-9-11-25-19(16)13-18/h3-9,11,13,20,25H,2,10,12,14H2,1H3,(H,26,29).
What are the key properties of 2-[3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide?
2-[3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide has a molecular weight of 454.98 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide is sourced from PubChem (CID 19058200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).