3-(4-ethoxyphenyl)-1-phenyl-4-sulfanylideneimidazolidin-2-one

C17H16N2O2S — CID 11392810

IUPAC3-(4-ethoxyphenyl)-1-phenyl-4-sulfanylideneimidazolidin-2-one
SMILESCCOc1ccc(N2C(=O)N(c3ccccc3)CC2=S)cc1
InChIInChI=1S/C17H16N2O2S/c1-2-21-15-10-8-14(9-11-15)19-16(22)12-18(17(19)20)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKeyDNQMTGCZHPCLAU-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.86
Rot. Bonds4

About 3-(4-ethoxyphenyl)-1-phenyl-4-sulfanylideneimidazolidin-2-one

3-(4-ethoxyphenyl)-1-phenyl-4-sulfanylideneimidazolidin-2-one (PubChem CID 11392810) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-1-phenyl-4-sulfanylideneimidazolidin-2-one.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-1-phenyl-4-sulfanylideneimidazolidin-2-one
PubChem CID11392810
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name3-(4-ethoxyphenyl)-1-phenyl-4-sulfanylideneimidazolidin-2-one
SMILESCCOc1ccc(N2C(=O)N(c3ccccc3)CC2=S)cc1
InChIInChI=1S/C17H16N2O2S/c1-2-21-15-10-8-14(9-11-15)19-16(22)12-18(17(19)20)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKeyDNQMTGCZHPCLAU-UHFFFAOYSA-N
XLogP3.86
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-ethoxyphenyl)-1-phenyl-4-sulfanylideneimidazolidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-ethoxyphenyl)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 134092663
(3aR,4S,7R,7aR)-2-(4-ethoxyphenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 98171061
1-(4-ethoxyphenyl)imidazolidine-2,4-dione
CID 2848649
(5E)-3-(4-ethoxyphenyl)-5-[[4-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 96874701
3-(4-methoxyphenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one
CID 682116
(7aR)-3-(4-ethoxyphenyl)-6-phenyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
CID 5295362
(3aS,6aR)-3-(4-ethoxyphenyl)-5,5-dioxo-1-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazole-2-thione
CID 6553797
5-[(4-ethoxyphenyl)methylidene]-1-(4-phenoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 90709855
(5S)-5-(4-ethoxyanilino)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 40636953
(5E)-3-(4-ethoxyphenyl)-5-[3-(4-ethoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6388432
(5Z)-5-[(4-ethoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 1361821
1,3-bis(4-chlorophenyl)-5-[(4-ethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 3563074

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-1-phenyl-4-sulfanylideneimidazolidin-2-one?
The IUPAC name of 3-(4-ethoxyphenyl)-1-phenyl-4-sulfanylideneimidazolidin-2-one (CID 11392810) is 3-(4-ethoxyphenyl)-1-phenyl-4-sulfanylideneimidazolidin-2-one.
What is the SMILES notation for 3-(4-ethoxyphenyl)-1-phenyl-4-sulfanylideneimidazolidin-2-one?
The canonical SMILES for 3-(4-ethoxyphenyl)-1-phenyl-4-sulfanylideneimidazolidin-2-one is CCOc1ccc(N2C(=O)N(c3ccccc3)CC2=S)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-1-phenyl-4-sulfanylideneimidazolidin-2-one?
The InChIKey is DNQMTGCZHPCLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-2-21-15-10-8-14(9-11-15)19-16(22)12-18(17(19)20)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3.
What are the key properties of 3-(4-ethoxyphenyl)-1-phenyl-4-sulfanylideneimidazolidin-2-one?
3-(4-ethoxyphenyl)-1-phenyl-4-sulfanylideneimidazolidin-2-one has a molecular weight of 312.39 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-1-phenyl-4-sulfanylideneimidazolidin-2-one is sourced from PubChem (CID 11392810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).