N-(4-ethoxyphenyl)-2-(3-heptyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide

C26H33N3O3S — CID 5093361

IUPACN-(4-ethoxyphenyl)-2-(3-heptyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide
SMILESCCCCCCCN1C(=S)N(c2ccccc2)C(=O)C1CC(=O)Nc1ccc(OCC)cc1
InChIInChI=1S/C26H33N3O3S/c1-3-5-6-7-11-18-28-23(25(31)29(26(28)33)21-12-9-8-10-13-21)19-24(30)27-20-14-16-22(17-15-20)32-4-2/h8-10,12-17,23H,3-7,11,18-19H2,1-2H3,(H,27,30)
InChIKeyNYEFDNBPLGGWCT-UHFFFAOYSA-N
MW467.64 g/mol
LogP5.39
Rot. Bonds12

About N-(4-ethoxyphenyl)-2-(3-heptyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide

N-(4-ethoxyphenyl)-2-(3-heptyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide (PubChem CID 5093361) has the molecular formula C26H33N3O3S and a molecular weight of 467.64 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(3-heptyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(3-heptyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide
PubChem CID5093361
Molecular FormulaC26H33N3O3S
Molecular Weight467.64 g/mol
Exact Mass467.22
IUPAC NameN-(4-ethoxyphenyl)-2-(3-heptyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide
SMILESCCCCCCCN1C(=S)N(c2ccccc2)C(=O)C1CC(=O)Nc1ccc(OCC)cc1
InChIInChI=1S/C26H33N3O3S/c1-3-5-6-7-11-18-28-23(25(31)29(26(28)33)21-12-9-8-10-13-21)19-24(30)27-20-14-16-22(17-15-20)32-4-2/h8-10,12-17,23H,3-7,11,18-19H2,1-2H3,(H,27,30)
InChIKeyNYEFDNBPLGGWCT-UHFFFAOYSA-N
XLogP5.39
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.64
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-2-[(4R)-5-oxo-1-phenyl-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 41222162
N-(4-ethoxyphenyl)-2-[3-[3-(4-ethylpiperazin-1-yl)propyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 46504348
ethyl 4-[[2-(3-heptyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetyl]amino]benzoate
CID 4279022
2-[(4S)-3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 98185367
N-(4-bromophenyl)-2-[3-heptyl-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 5101074
N-(4-ethoxyphenyl)-2-[(4R)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 26526081
N-(4-ethoxyphenyl)-2-[5-oxo-1-phenyl-2-sulfanylidene-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-4-yl]acetamide
CID 3646679
N-(4-ethoxyphenyl)-2-[5-oxo-3-(3-phenylpropyl)-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]acetamide
CID 3563093
2-[(4R)-3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 98185359
2-[1-(4-methoxyphenyl)-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 4304373
2-[(4S)-1-(4-ethoxyphenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 98185284
2-[(4S)-3-[3-(4-benzylpiperidin-1-yl)propyl]-1-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 98182740

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(3-heptyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(3-heptyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide (CID 5093361) is N-(4-ethoxyphenyl)-2-(3-heptyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(3-heptyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(3-heptyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide is CCCCCCCN1C(=S)N(c2ccccc2)C(=O)C1CC(=O)Nc1ccc(OCC)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(3-heptyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide?
The InChIKey is NYEFDNBPLGGWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3S/c1-3-5-6-7-11-18-28-23(25(31)29(26(28)33)21-12-9-8-10-13-21)19-24(30)27-20-14-16-22(17-15-20)32-4-2/h8-10,12-17,23H,3-7,11,18-19H2,1-2H3,(H,27,30).
What are the key properties of N-(4-ethoxyphenyl)-2-(3-heptyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide?
N-(4-ethoxyphenyl)-2-(3-heptyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide has a molecular weight of 467.64 g/mol, XLogP of 5.39, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(3-heptyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide is sourced from PubChem (CID 5093361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).