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

C23H26FN3O3S — CID 1259412

IUPACN-(4-ethoxyphenyl)-2-[(4R)-1-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-yl-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=S)N2C(C)C)cc1
InChIInChI=1S/C23H26FN3O3S/c1-4-30-19-11-9-18(10-12-19)25-21(28)13-20-22(29)26(23(31)27(20)15(2)3)14-16-5-7-17(24)8-6-16/h5-12,15,20H,4,13-14H2,1-3H3,(H,25,28)/t20-/m1/s1
InChIKeyJZJXRVLRUMRWKF-HXUWFJFHSA-N
MW443.54 g/mol
LogP3.96
Rot. Bonds8

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

N-(4-ethoxyphenyl)-2-[(4R)-1-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-yl-2-sulfanylideneimidazolidin-4-yl]acetamide (PubChem CID 1259412) has the molecular formula C23H26FN3O3S and a molecular weight of 443.54 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[(4R)-1-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-yl-2-sulfanylideneimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[(4R)-1-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-yl-2-sulfanylideneimidazolidin-4-yl]acetamide
PubChem CID1259412
Molecular FormulaC23H26FN3O3S
Molecular Weight443.54 g/mol
Exact Mass443.17
IUPAC NameN-(4-ethoxyphenyl)-2-[(4R)-1-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-yl-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=S)N2C(C)C)cc1
InChIInChI=1S/C23H26FN3O3S/c1-4-30-19-11-9-18(10-12-19)25-21(28)13-20-22(29)26(23(31)27(20)15(2)3)14-16-5-7-17(24)8-6-16/h5-12,15,20H,4,13-14H2,1-3H3,(H,25,28)/t20-/m1/s1
InChIKeyJZJXRVLRUMRWKF-HXUWFJFHSA-N
XLogP3.96
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-benzyl-3-[(4-fluorophenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 3822543
N-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-5-oxo-3-propan-2-yl-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 28701912
2-[(4R)-1-benzyl-3-[2-(2-fluorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 41201436
ethyl 4-[[2-[(4R)-1-[(4-fluorophenyl)methyl]-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 27101217
N-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxo-3-propan-2-ylimidazolidin-4-yl]acetamide
CID 92666410
N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 17118454
N-(4-ethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 2289388
2-[(4R)-1-benzyl-3-[(4-methoxyphenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 41015659
N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954809
N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 4918702
2-[5-oxo-3-propan-2-yl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide
CID 4920034
N-(4-ethoxyphenyl)-2-[5-oxo-1-phenyl-2-sulfanylidene-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-4-yl]acetamide
CID 3646679

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[(4R)-1-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-yl-2-sulfanylideneimidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[(4R)-1-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-yl-2-sulfanylideneimidazolidin-4-yl]acetamide (CID 1259412) is N-(4-ethoxyphenyl)-2-[(4R)-1-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-yl-2-sulfanylideneimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[(4R)-1-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-yl-2-sulfanylideneimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[(4R)-1-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-yl-2-sulfanylideneimidazolidin-4-yl]acetamide is CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=S)N2C(C)C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[(4R)-1-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-yl-2-sulfanylideneimidazolidin-4-yl]acetamide?
The InChIKey is JZJXRVLRUMRWKF-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H26FN3O3S/c1-4-30-19-11-9-18(10-12-19)25-21(28)13-20-22(29)26(23(31)27(20)15(2)3)14-16-5-7-17(24)8-6-16/h5-12,15,20H,4,13-14H2,1-3H3,(H,25,28)/t20-/m1/s1.
What are the key properties of N-(4-ethoxyphenyl)-2-[(4R)-1-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-yl-2-sulfanylideneimidazolidin-4-yl]acetamide?
N-(4-ethoxyphenyl)-2-[(4R)-1-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-yl-2-sulfanylideneimidazolidin-4-yl]acetamide has a molecular weight of 443.54 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[(4R)-1-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-yl-2-sulfanylideneimidazolidin-4-yl]acetamide is sourced from PubChem (CID 1259412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).