2-[1-ethyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide

C18H18FN3O2S2 — CID 2950381

IUPAC2-[1-ethyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
SMILESCCN1C(=O)C(CC(=O)Nc2ccc(F)cc2)N(Cc2cccs2)C1=S
InChIInChI=1S/C18H18FN3O2S2/c1-2-21-17(24)15(22(18(21)25)11-14-4-3-9-26-14)10-16(23)20-13-7-5-12(19)6-8-13/h3-9,15H,2,10-11H2,1H3,(H,20,23)
InChIKeyPFNXBVCRTDQFHN-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.23
Rot. Bonds6

About 2-[1-ethyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide

2-[1-ethyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 2950381) has the molecular formula C18H18FN3O2S2 and a molecular weight of 391.49 g/mol. Its IUPAC name is 2-[1-ethyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[1-ethyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
PubChem CID2950381
Molecular FormulaC18H18FN3O2S2
Molecular Weight391.49 g/mol
Exact Mass391.08
IUPAC Name2-[1-ethyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
SMILESCCN1C(=O)C(CC(=O)Nc2ccc(F)cc2)N(Cc2cccs2)C1=S
InChIInChI=1S/C18H18FN3O2S2/c1-2-21-17(24)15(22(18(21)25)11-14-4-3-9-26-14)10-16(23)20-13-7-5-12(19)6-8-13/h3-9,15H,2,10-11H2,1H3,(H,20,23)
InChIKeyPFNXBVCRTDQFHN-UHFFFAOYSA-N
XLogP3.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[1-ethyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide (CID 2950381) is 2-[1-ethyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[1-ethyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[1-ethyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide is CCN1C(=O)C(CC(=O)Nc2ccc(F)cc2)N(Cc2cccs2)C1=S.
What is the InChIKey of 2-[1-ethyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is PFNXBVCRTDQFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S2/c1-2-21-17(24)15(22(18(21)25)11-14-4-3-9-26-14)10-16(23)20-13-7-5-12(19)6-8-13/h3-9,15H,2,10-11H2,1H3,(H,20,23).
What are the key properties of 2-[1-ethyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide?
2-[1-ethyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 391.49 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 2950381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).