2-[3-cyclopropyl-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide

C25H29N3O4S — CID 2953299

IUPAC2-[3-cyclopropyl-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
SMILESCCCOc1ccc(NC(=O)CC2C(=O)N(c3ccc(OCC)cc3)C(=S)N2C2CC2)cc1
InChIInChI=1S/C25H29N3O4S/c1-3-15-32-21-11-5-17(6-12-21)26-23(29)16-22-24(30)28(25(33)27(22)18-7-8-18)19-9-13-20(14-10-19)31-4-2/h5-6,9-14,18,22H,3-4,7-8,15-16H2,1-2H3,(H,26,29)
InChIKeyYLMRXWWYJJIGMH-UHFFFAOYSA-N
MW467.59 g/mol
LogP4.37
Rot. Bonds10

About 2-[3-cyclopropyl-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide

2-[3-cyclopropyl-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide (PubChem CID 2953299) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is 2-[3-cyclopropyl-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-cyclopropyl-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
PubChem CID2953299
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC Name2-[3-cyclopropyl-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
SMILESCCCOc1ccc(NC(=O)CC2C(=O)N(c3ccc(OCC)cc3)C(=S)N2C2CC2)cc1
InChIInChI=1S/C25H29N3O4S/c1-3-15-32-21-11-5-17(6-12-21)26-23(29)16-22-24(30)28(25(33)27(22)18-7-8-18)19-9-13-20(14-10-19)31-4-2/h5-6,9-14,18,22H,3-4,7-8,15-16H2,1-2H3,(H,26,29)
InChIKeyYLMRXWWYJJIGMH-UHFFFAOYSA-N
XLogP4.37
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopropyl-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide?
The IUPAC name of 2-[3-cyclopropyl-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide (CID 2953299) is 2-[3-cyclopropyl-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-cyclopropyl-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide?
The canonical SMILES for 2-[3-cyclopropyl-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide is CCCOc1ccc(NC(=O)CC2C(=O)N(c3ccc(OCC)cc3)C(=S)N2C2CC2)cc1.
What is the InChIKey of 2-[3-cyclopropyl-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide?
The InChIKey is YLMRXWWYJJIGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S/c1-3-15-32-21-11-5-17(6-12-21)26-23(29)16-22-24(30)28(25(33)27(22)18-7-8-18)19-9-13-20(14-10-19)31-4-2/h5-6,9-14,18,22H,3-4,7-8,15-16H2,1-2H3,(H,26,29).
What are the key properties of 2-[3-cyclopropyl-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide?
2-[3-cyclopropyl-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide has a molecular weight of 467.59 g/mol, XLogP of 4.37, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopropyl-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide is sourced from PubChem (CID 2953299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).