N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide

C24H21F2N3O2S2 — CID 4918725

IUPACN-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESCc1ccsc1CCN1C(=S)N(c2ccc(F)cc2)C(=O)C1CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H21F2N3O2S2/c1-15-11-13-33-21(15)10-12-28-20(14-22(30)27-18-6-2-16(25)3-7-18)23(31)29(24(28)32)19-8-4-17(26)5-9-19/h2-9,11,13,20H,10,12,14H2,1H3,(H,27,30)
InChIKeyZWUHCSBUQLUJPV-UHFFFAOYSA-N
MW485.58 g/mol
LogP4.91
Rot. Bonds7

About N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide

N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide (PubChem CID 4918725) has the molecular formula C24H21F2N3O2S2 and a molecular weight of 485.58 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
PubChem CID4918725
Molecular FormulaC24H21F2N3O2S2
Molecular Weight485.58 g/mol
Exact Mass485.10
IUPAC NameN-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESCc1ccsc1CCN1C(=S)N(c2ccc(F)cc2)C(=O)C1CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H21F2N3O2S2/c1-15-11-13-33-21(15)10-12-28-20(14-22(30)27-18-6-2-16(25)3-7-18)23(31)29(24(28)32)19-8-4-17(26)5-9-19/h2-9,11,13,20H,10,12,14H2,1H3,(H,27,30)
InChIKeyZWUHCSBUQLUJPV-UHFFFAOYSA-N
XLogP4.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 54.91
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 N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide (CID 4918725) is N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide is Cc1ccsc1CCN1C(=S)N(c2ccc(F)cc2)C(=O)C1CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?
The InChIKey is ZWUHCSBUQLUJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O2S2/c1-15-11-13-33-21(15)10-12-28-20(14-22(30)27-18-6-2-16(25)3-7-18)23(31)29(24(28)32)19-8-4-17(26)5-9-19/h2-9,11,13,20H,10,12,14H2,1H3,(H,27,30).
What are the key properties of N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?
N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide has a molecular weight of 485.58 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide is sourced from PubChem (CID 4918725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).