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

C21H23N3O3S — CID 2892490

IUPACN-(4-methoxyphenyl)-2-[1-methyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESCOc1ccc(NC(=O)CC2C(=O)N(C)C(=S)N2CCc2ccccc2)cc1
InChIInChI=1S/C21H23N3O3S/c1-23-20(26)18(14-19(25)22-16-8-10-17(27-2)11-9-16)24(21(23)28)13-12-15-6-4-3-5-7-15/h3-11,18H,12-14H2,1-2H3,(H,22,25)
InChIKeyLJHPZZGRGZLJAI-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.69
Rot. Bonds7

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

N-(4-methoxyphenyl)-2-[1-methyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide (PubChem CID 2892490) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[1-methyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[1-methyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
PubChem CID2892490
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-(4-methoxyphenyl)-2-[1-methyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESCOc1ccc(NC(=O)CC2C(=O)N(C)C(=S)N2CCc2ccccc2)cc1
InChIInChI=1S/C21H23N3O3S/c1-23-20(26)18(14-19(25)22-16-8-10-17(27-2)11-9-16)24(21(23)28)13-12-15-6-4-3-5-7-15/h3-11,18H,12-14H2,1-2H3,(H,22,25)
InChIKeyLJHPZZGRGZLJAI-UHFFFAOYSA-N
XLogP2.69
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-methoxyphenyl)-2-[1-methyl-5-oxo-3-(2-phenylethyl)-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-methoxyphenyl)-2-[1-methyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[1-methyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide (CID 2892490) is N-(4-methoxyphenyl)-2-[1-methyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[1-methyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[1-methyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide is COc1ccc(NC(=O)CC2C(=O)N(C)C(=S)N2CCc2ccccc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[1-methyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide?
The InChIKey is LJHPZZGRGZLJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-23-20(26)18(14-19(25)22-16-8-10-17(27-2)11-9-16)24(21(23)28)13-12-15-6-4-3-5-7-15/h3-11,18H,12-14H2,1-2H3,(H,22,25).
What are the key properties of N-(4-methoxyphenyl)-2-[1-methyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide?
N-(4-methoxyphenyl)-2-[1-methyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide has a molecular weight of 397.50 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[1-methyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide is sourced from PubChem (CID 2892490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).