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

C20H26N4O3S — CID 19058182

IUPAC2-[3-(3-ethoxypropyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
SMILESCCOCCCN1C(=S)N(CC)C(=O)C1CC(=O)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C20H26N4O3S/c1-3-23-19(26)17(24(20(23)28)10-5-11-27-4-2)13-18(25)22-15-7-6-14-8-9-21-16(14)12-15/h6-9,12,17,21H,3-5,10-11,13H2,1-2H3,(H,22,25)
InChIKeyPSEWFZXRVRDLFI-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.74
Rot. Bonds9

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

2-[3-(3-ethoxypropyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide (PubChem CID 19058182) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-[3-(3-ethoxypropyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide.

Molecular Properties

Compound Name2-[3-(3-ethoxypropyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
PubChem CID19058182
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name2-[3-(3-ethoxypropyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
SMILESCCOCCCN1C(=S)N(CC)C(=O)C1CC(=O)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C20H26N4O3S/c1-3-23-19(26)17(24(20(23)28)10-5-11-27-4-2)13-18(25)22-15-7-6-14-8-9-21-16(14)12-15/h6-9,12,17,21H,3-5,10-11,13H2,1-2H3,(H,22,25)
InChIKeyPSEWFZXRVRDLFI-UHFFFAOYSA-N
XLogP2.74
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-ethoxypropyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide?
The IUPAC name of 2-[3-(3-ethoxypropyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide (CID 19058182) is 2-[3-(3-ethoxypropyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide.
What is the SMILES notation for 2-[3-(3-ethoxypropyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide?
The canonical SMILES for 2-[3-(3-ethoxypropyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide is CCOCCCN1C(=S)N(CC)C(=O)C1CC(=O)Nc1ccc2cc[nH]c2c1.
What is the InChIKey of 2-[3-(3-ethoxypropyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide?
The InChIKey is PSEWFZXRVRDLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-3-23-19(26)17(24(20(23)28)10-5-11-27-4-2)13-18(25)22-15-7-6-14-8-9-21-16(14)12-15/h6-9,12,17,21H,3-5,10-11,13H2,1-2H3,(H,22,25).
What are the key properties of 2-[3-(3-ethoxypropyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide?
2-[3-(3-ethoxypropyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide has a molecular weight of 402.52 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-ethoxypropyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide is sourced from PubChem (CID 19058182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).