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

C23H23F2N3O2S — CID 2984696

IUPAC2-[3-cyclohexyl-1-(2-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CC1C(=O)N(c2ccccc2F)C(=S)N1C1CCCCC1)Nc1ccc(F)cc1
InChIInChI=1S/C23H23F2N3O2S/c24-15-10-12-16(13-11-15)26-21(29)14-20-22(30)28(19-9-5-4-8-18(19)25)23(31)27(20)17-6-2-1-3-7-17/h4-5,8-13,17,20H,1-3,6-7,14H2,(H,26,29)
InChIKeyXNLDTLWQKVGLSO-UHFFFAOYSA-N
MW443.52 g/mol
LogP4.63
Rot. Bonds5

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

2-[3-cyclohexyl-1-(2-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 2984696) has the molecular formula C23H23F2N3O2S and a molecular weight of 443.52 g/mol. Its IUPAC name is 2-[3-cyclohexyl-1-(2-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-cyclohexyl-1-(2-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
PubChem CID2984696
Molecular FormulaC23H23F2N3O2S
Molecular Weight443.52 g/mol
Exact Mass443.15
IUPAC Name2-[3-cyclohexyl-1-(2-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CC1C(=O)N(c2ccccc2F)C(=S)N1C1CCCCC1)Nc1ccc(F)cc1
InChIInChI=1S/C23H23F2N3O2S/c24-15-10-12-16(13-11-15)26-21(29)14-20-22(30)28(19-9-5-4-8-18(19)25)23(31)27(20)17-6-2-1-3-7-17/h4-5,8-13,17,20H,1-3,6-7,14H2,(H,26,29)
InChIKeyXNLDTLWQKVGLSO-UHFFFAOYSA-N
XLogP4.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-cyclopentyl-2,5-dioxo-1-phenylimidazolidin-4-yl)-N-(4-fluorophenyl)acetamide
CID 17118476
2-(3-cyclohexyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide
CID 19058113
2-[(4S)-3-cyclopentyl-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 41284608
2-[(4R)-3-cyclopentyl-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 41284607
N-(4-fluorophenyl)-2-[3-(2-fluorophenyl)-1-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 21232802
2-[3-cyclopentyl-1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
CID 19058236
2-[3-benzyl-1-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 3681133
2-[(4S)-3-cyclohexyl-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 7373354
ethyl 4-[[2-[(4R)-3-cyclohexyl-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]amino]benzoate
CID 40775283
N-(4-methoxyphenyl)-2-[(4S)-5-oxo-3-[(3S)-2-oxoazepan-3-yl]-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 30239234
2-[1-ethyl-3-[2-(2-fluorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 2950543
methyl 4-[[2-[(4R)-3-cyclohexyl-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 41263530

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclohexyl-1-(2-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[3-cyclohexyl-1-(2-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide (CID 2984696) is 2-[3-cyclohexyl-1-(2-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-cyclohexyl-1-(2-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-cyclohexyl-1-(2-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide is O=C(CC1C(=O)N(c2ccccc2F)C(=S)N1C1CCCCC1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[3-cyclohexyl-1-(2-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is XNLDTLWQKVGLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O2S/c24-15-10-12-16(13-11-15)26-21(29)14-20-22(30)28(19-9-5-4-8-18(19)25)23(31)27(20)17-6-2-1-3-7-17/h4-5,8-13,17,20H,1-3,6-7,14H2,(H,26,29).
What are the key properties of 2-[3-cyclohexyl-1-(2-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide?
2-[3-cyclohexyl-1-(2-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 443.52 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclohexyl-1-(2-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 2984696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).