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

C20H28N4O4S — CID 12005075

IUPAC2-[3-(2-acetamidoethyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
SMILESCCCOc1ccc(NC(=O)CC2C(=O)N(CC)C(=S)N2CCNC(C)=O)cc1
InChIInChI=1S/C20H28N4O4S/c1-4-12-28-16-8-6-15(7-9-16)22-18(26)13-17-19(27)23(5-2)20(29)24(17)11-10-21-14(3)25/h6-9,17H,4-5,10-13H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyUTOMYVXKUPFZGD-UHFFFAOYSA-N
MW420.54 g/mol
LogP1.76
Rot. Bonds10

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

2-[3-(2-acetamidoethyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide (PubChem CID 12005075) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is 2-[3-(2-acetamidoethyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-acetamidoethyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
PubChem CID12005075
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC Name2-[3-(2-acetamidoethyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
SMILESCCCOc1ccc(NC(=O)CC2C(=O)N(CC)C(=S)N2CCNC(C)=O)cc1
InChIInChI=1S/C20H28N4O4S/c1-4-12-28-16-8-6-15(7-9-16)22-18(26)13-17-19(27)23(5-2)20(29)24(17)11-10-21-14(3)25/h6-9,17H,4-5,10-13H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyUTOMYVXKUPFZGD-UHFFFAOYSA-N
XLogP1.76
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-(2-acetamidoethyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-acetamidoethyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide?
The IUPAC name of 2-[3-(2-acetamidoethyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide (CID 12005075) is 2-[3-(2-acetamidoethyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(2-acetamidoethyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(2-acetamidoethyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide is CCCOc1ccc(NC(=O)CC2C(=O)N(CC)C(=S)N2CCNC(C)=O)cc1.
What is the InChIKey of 2-[3-(2-acetamidoethyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide?
The InChIKey is UTOMYVXKUPFZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4S/c1-4-12-28-16-8-6-15(7-9-16)22-18(26)13-17-19(27)23(5-2)20(29)24(17)11-10-21-14(3)25/h6-9,17H,4-5,10-13H2,1-3H3,(H,21,25)(H,22,26).
What are the key properties of 2-[3-(2-acetamidoethyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide?
2-[3-(2-acetamidoethyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide has a molecular weight of 420.54 g/mol, XLogP of 1.76, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-acetamidoethyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide is sourced from PubChem (CID 12005075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).