2-[1-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide

C23H24ClN3O4S — CID 2953129

IUPAC2-[1-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CC2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2C2CC2)cc1
InChIInChI=1S/C23H24ClN3O4S/c1-3-31-17-9-4-14(5-10-17)25-21(28)13-19-22(29)27(23(32)26(19)15-6-7-15)16-8-11-20(30-2)18(24)12-16/h4-5,8-12,15,19H,3,6-7,13H2,1-2H3,(H,25,28)
InChIKeyLQAXJQJUUWWZGX-UHFFFAOYSA-N
MW473.98 g/mol
LogP4.24
Rot. Bonds8

About 2-[1-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide

2-[1-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide (PubChem CID 2953129) has the molecular formula C23H24ClN3O4S and a molecular weight of 473.98 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
PubChem CID2953129
Molecular FormulaC23H24ClN3O4S
Molecular Weight473.98 g/mol
Exact Mass473.12
IUPAC Name2-[1-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CC2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2C2CC2)cc1
InChIInChI=1S/C23H24ClN3O4S/c1-3-31-17-9-4-14(5-10-17)25-21(28)13-19-22(29)27(23(32)26(19)15-6-7-15)16-8-11-20(30-2)18(24)12-16/h4-5,8-12,15,19H,3,6-7,13H2,1-2H3,(H,25,28)
InChIKeyLQAXJQJUUWWZGX-UHFFFAOYSA-N
XLogP4.24
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.98
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[2-[(4S)-1-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 42582970
2-[1-(3-chloro-4-methoxyphenyl)-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 5216073
2-[3-(2-acetamidoethyl)-1-(3-chloro-4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 46505383
2-[(4S)-1-(3-chloro-4-methoxyphenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 98182670
2-[1-(3-chloro-4-methoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 46504258
N-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-5-oxo-3-propan-2-yl-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 28701912
methyl 2-[(5R)-3-(4-chlorophenyl)-5-[2-(4-ethoxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate
CID 40971357
2-[(4R)-3-cyclopentyl-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 41284607
2-[(4S)-3-cyclopentyl-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 41284608
2-[(4S)-1-(3-chloro-4-methoxyphenyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide
CID 98182682
2-[1-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 4199018
2-[(4R)-3-cyclohexyl-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 29080609

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[1-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide (CID 2953129) is 2-[1-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[1-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CC2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2C2CC2)cc1.
What is the InChIKey of 2-[1-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is LQAXJQJUUWWZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4S/c1-3-31-17-9-4-14(5-10-17)25-21(28)13-19-22(29)27(23(32)26(19)15-6-7-15)16-8-11-20(30-2)18(24)12-16/h4-5,8-12,15,19H,3,6-7,13H2,1-2H3,(H,25,28).
What are the key properties of 2-[1-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide?
2-[1-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 473.98 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 2953129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).