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

C19H17F2N3O2S — CID 2892439

IUPACN-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESCN1C(=O)C(CC(=O)Nc2ccc(F)cc2)N(Cc2ccc(F)cc2)C1=S
InChIInChI=1S/C19H17F2N3O2S/c1-23-18(26)16(10-17(25)22-15-8-6-14(21)7-9-15)24(19(23)27)11-12-2-4-13(20)5-3-12/h2-9,16H,10-11H2,1H3,(H,22,25)
InChIKeyTZMULPPLVOOASK-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.92
Rot. Bonds5

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

N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide (PubChem CID 2892439) has the molecular formula C19H17F2N3O2S and a molecular weight of 389.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
PubChem CID2892439
Molecular FormulaC19H17F2N3O2S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC NameN-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESCN1C(=O)C(CC(=O)Nc2ccc(F)cc2)N(Cc2ccc(F)cc2)C1=S
InChIInChI=1S/C19H17F2N3O2S/c1-23-18(26)16(10-17(25)22-15-8-6-14(21)7-9-15)24(19(23)27)11-12-2-4-13(20)5-3-12/h2-9,16H,10-11H2,1H3,(H,22,25)
InChIKeyTZMULPPLVOOASK-UHFFFAOYSA-N
XLogP2.92
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[3-[(4-fluorophenyl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide (CID 2892439) is N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide is CN1C(=O)C(CC(=O)Nc2ccc(F)cc2)N(Cc2ccc(F)cc2)C1=S.
What is the InChIKey of N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?
The InChIKey is TZMULPPLVOOASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2S/c1-23-18(26)16(10-17(25)22-15-8-6-14(21)7-9-15)24(19(23)27)11-12-2-4-13(20)5-3-12/h2-9,16H,10-11H2,1H3,(H,22,25).
What are the key properties of N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?
N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide has a molecular weight of 389.43 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide is sourced from PubChem (CID 2892439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).