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

C21H26N4O3S — CID 19058337

IUPAC2-[1-cyclopropyl-3-(3-ethoxypropyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
SMILESCCOCCCN1C(=S)N(C2CC2)C(=O)C1CC(=O)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C21H26N4O3S/c1-2-28-11-3-10-24-18(20(27)25(21(24)29)16-6-7-16)13-19(26)23-15-5-4-14-8-9-22-17(14)12-15/h4-5,8-9,12,16,18,22H,2-3,6-7,10-11,13H2,1H3,(H,23,26)
InChIKeyMBYNYCQELYVWEE-UHFFFAOYSA-N
MW414.53 g/mol
LogP2.88
Rot. Bonds9

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

2-[1-cyclopropyl-3-(3-ethoxypropyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide (PubChem CID 19058337) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is 2-[1-cyclopropyl-3-(3-ethoxypropyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide.

Molecular Properties

Compound Name2-[1-cyclopropyl-3-(3-ethoxypropyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
PubChem CID19058337
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC Name2-[1-cyclopropyl-3-(3-ethoxypropyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
SMILESCCOCCCN1C(=S)N(C2CC2)C(=O)C1CC(=O)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C21H26N4O3S/c1-2-28-11-3-10-24-18(20(27)25(21(24)29)16-6-7-16)13-19(26)23-15-5-4-14-8-9-22-17(14)12-15/h4-5,8-9,12,16,18,22H,2-3,6-7,10-11,13H2,1H3,(H,23,26)
InChIKeyMBYNYCQELYVWEE-UHFFFAOYSA-N
XLogP2.88
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 52.88
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-[1-cyclopropyl-3-(3-ethoxypropyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide?
The IUPAC name of 2-[1-cyclopropyl-3-(3-ethoxypropyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide (CID 19058337) is 2-[1-cyclopropyl-3-(3-ethoxypropyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide.
What is the SMILES notation for 2-[1-cyclopropyl-3-(3-ethoxypropyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide?
The canonical SMILES for 2-[1-cyclopropyl-3-(3-ethoxypropyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide is CCOCCCN1C(=S)N(C2CC2)C(=O)C1CC(=O)Nc1ccc2cc[nH]c2c1.
What is the InChIKey of 2-[1-cyclopropyl-3-(3-ethoxypropyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide?
The InChIKey is MBYNYCQELYVWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-2-28-11-3-10-24-18(20(27)25(21(24)29)16-6-7-16)13-19(26)23-15-5-4-14-8-9-22-17(14)12-15/h4-5,8-9,12,16,18,22H,2-3,6-7,10-11,13H2,1H3,(H,23,26).
What are the key properties of 2-[1-cyclopropyl-3-(3-ethoxypropyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide?
2-[1-cyclopropyl-3-(3-ethoxypropyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide has a molecular weight of 414.53 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropyl-3-(3-ethoxypropyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide is sourced from PubChem (CID 19058337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).