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

C23H27N3O3S — CID 2892340

IUPACN-(4-ethoxyphenyl)-2-[1-methyl-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESCCOc1ccc(NC(=O)CC2C(=O)N(C)C(=S)N2CCCc2ccccc2)cc1
InChIInChI=1S/C23H27N3O3S/c1-3-29-19-13-11-18(12-14-19)24-21(27)16-20-22(28)25(2)23(30)26(20)15-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-14,20H,3,7,10,15-16H2,1-2H3,(H,24,27)
InChIKeyQPIIMZZWVIHUQS-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.47
Rot. Bonds9

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

N-(4-ethoxyphenyl)-2-[1-methyl-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetamide (PubChem CID 2892340) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[1-methyl-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[1-methyl-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
PubChem CID2892340
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC NameN-(4-ethoxyphenyl)-2-[1-methyl-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESCCOc1ccc(NC(=O)CC2C(=O)N(C)C(=S)N2CCCc2ccccc2)cc1
InChIInChI=1S/C23H27N3O3S/c1-3-29-19-13-11-18(12-14-19)24-21(27)16-20-22(28)25(2)23(30)26(20)15-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-14,20H,3,7,10,15-16H2,1-2H3,(H,24,27)
InChIKeyQPIIMZZWVIHUQS-UHFFFAOYSA-N
XLogP3.47
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-ethoxyphenyl)-2-[1-methyl-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]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 N-(4-ethoxyphenyl)-2-[1-methyl-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[1-methyl-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetamide (CID 2892340) is N-(4-ethoxyphenyl)-2-[1-methyl-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[1-methyl-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[1-methyl-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetamide is CCOc1ccc(NC(=O)CC2C(=O)N(C)C(=S)N2CCCc2ccccc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[1-methyl-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetamide?
The InChIKey is QPIIMZZWVIHUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-3-29-19-13-11-18(12-14-19)24-21(27)16-20-22(28)25(2)23(30)26(20)15-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-14,20H,3,7,10,15-16H2,1-2H3,(H,24,27).
What are the key properties of N-(4-ethoxyphenyl)-2-[1-methyl-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetamide?
N-(4-ethoxyphenyl)-2-[1-methyl-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetamide has a molecular weight of 425.55 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[1-methyl-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetamide is sourced from PubChem (CID 2892340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).