3-(4-ethylphenyl)-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one

C16H16N2OS2 — CID 4535710

IUPAC3-(4-ethylphenyl)-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one
SMILESCCc1ccc(N2C(=O)CN(Cc3cccs3)C2=S)cc1
InChIInChI=1S/C16H16N2OS2/c1-2-12-5-7-13(8-6-12)18-15(19)11-17(16(18)20)10-14-4-3-9-21-14/h3-9H,2,10-11H2,1H3
InChIKeyOOXXTTXGWVWSHQ-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.44
Rot. Bonds4

About 3-(4-ethylphenyl)-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one

3-(4-ethylphenyl)-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one (PubChem CID 4535710) has the molecular formula C16H16N2OS2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(4-ethylphenyl)-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one
PubChem CID4535710
Molecular FormulaC16H16N2OS2
Molecular Weight316.45 g/mol
Exact Mass316.07
IUPAC Name3-(4-ethylphenyl)-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one
SMILESCCc1ccc(N2C(=O)CN(Cc3cccs3)C2=S)cc1
InChIInChI=1S/C16H16N2OS2/c1-2-12-5-7-13(8-6-12)18-15(19)11-17(16(18)20)10-14-4-3-9-21-14/h3-9H,2,10-11H2,1H3
InChIKeyOOXXTTXGWVWSHQ-UHFFFAOYSA-N
XLogP3.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Ethylphenyl)-1-[(3-methylthiophen-2-yl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 4062129
3-(3-Methylphenyl)-1-(thien-2-ylmethyl)-2-thioxoimidazolidin-4-one
CID 4535712
3-(3,4-Dimethylphenyl)-1-(thien-2-ylmethyl)-2-thioxoimidazolidin-4-one
CID 4535713
N-[2-(dimethylamino)ethyl]-N'-(4-methylphenyl)-N-(thien-2-ylmethyl)thiourea
CID 4598531
N-(4-methylphenyl)-2-(thiophen-2-yl)pyrrolidine-1-carboxamide
CID 4881057
(5E)-3-phenyl-5-(thien-3-ylmethylene)-2-thioxoimidazolidin-4-one
CID 16188811
(E)-2-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)-N-(p-tolyl)acetamide
CID 1613195
(E)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
CID 2423320
3-(4-Methylphenyl)-2-(2-thienyl)-1,3-thiazolan-4-one
CID 2999563
1-[4-[(4-Ethyl-1-piperazinyl)methyl]phenyl]-3-thiophen-2-ylurea
CID 3240500
3-(3,5-Dimethylphenyl)-1-[(3-methylthiophen-2-yl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 4046918
3-(3,4-Dimethylphenyl)-1-[(3-methylthiophen-2-yl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 4062130

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one?
The IUPAC name of 3-(4-ethylphenyl)-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one (CID 4535710) is 3-(4-ethylphenyl)-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for 3-(4-ethylphenyl)-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one?
The canonical SMILES for 3-(4-ethylphenyl)-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one is CCc1ccc(N2C(=O)CN(Cc3cccs3)C2=S)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one?
The InChIKey is OOXXTTXGWVWSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS2/c1-2-12-5-7-13(8-6-12)18-15(19)11-17(16(18)20)10-14-4-3-9-21-14/h3-9H,2,10-11H2,1H3.
What are the key properties of 3-(4-ethylphenyl)-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one?
3-(4-ethylphenyl)-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one has a molecular weight of 316.45 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 4535710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).