N-(4-chlorophenyl)-2-[(4R)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-1-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]acetamide

C23H24ClN3O3S — CID 26525219

IUPACN-(4-chlorophenyl)-2-[(4R)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-1-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESC=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)N(CCc2ccc(OC)cc2)C1=S
InChIInChI=1S/C23H24ClN3O3S/c1-3-13-27-22(29)20(15-21(28)25-18-8-6-17(24)7-9-18)26(23(27)31)14-12-16-4-10-19(30-2)11-5-16/h3-11,20H,1,12-15H2,2H3,(H,25,28)/t20-/m1/s1
InChIKeyYKMFJXMEWBVZBG-HXUWFJFHSA-N
MW457.98 g/mol
LogP3.90
Rot. Bonds9

About N-(4-chlorophenyl)-2-[(4R)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-1-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]acetamide

N-(4-chlorophenyl)-2-[(4R)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-1-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]acetamide (PubChem CID 26525219) has the molecular formula C23H24ClN3O3S and a molecular weight of 457.98 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(4R)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-1-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(4R)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-1-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]acetamide
PubChem CID26525219
Molecular FormulaC23H24ClN3O3S
Molecular Weight457.98 g/mol
Exact Mass457.12
IUPAC NameN-(4-chlorophenyl)-2-[(4R)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-1-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESC=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)N(CCc2ccc(OC)cc2)C1=S
InChIInChI=1S/C23H24ClN3O3S/c1-3-13-27-22(29)20(15-21(28)25-18-8-6-17(24)7-9-18)26(23(27)31)14-12-16-4-10-19(30-2)11-5-16/h3-11,20H,1,12-15H2,2H3,(H,25,28)/t20-/m1/s1
InChIKeyYKMFJXMEWBVZBG-HXUWFJFHSA-N
XLogP3.90
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.98
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 3756271
N-(4-bromophenyl)-2-[1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 3262682
N-(4-chlorophenyl)-2-[1-(3-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 4517482
N-(4-chlorophenyl)-2-[(4S)-1-(4-methoxyphenyl)-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 28776817
N-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 3844987
2-[1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 5098737
2-[1-(3-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 4189625
2-[3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
CID 4148396
2-[(4S)-1-benzyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide
CID 29010399
2-[3-[(4-methoxyphenyl)methyl]-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
CID 4531717
N-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 3140278
2-[3-[2-(4-chlorophenyl)ethyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 3531785

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(4R)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-1-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(4R)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-1-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]acetamide (CID 26525219) is N-(4-chlorophenyl)-2-[(4R)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-1-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(4R)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-1-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(4R)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-1-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]acetamide is C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)N(CCc2ccc(OC)cc2)C1=S.
What is the InChIKey of N-(4-chlorophenyl)-2-[(4R)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-1-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]acetamide?
The InChIKey is YKMFJXMEWBVZBG-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H24ClN3O3S/c1-3-13-27-22(29)20(15-21(28)25-18-8-6-17(24)7-9-18)26(23(27)31)14-12-16-4-10-19(30-2)11-5-16/h3-11,20H,1,12-15H2,2H3,(H,25,28)/t20-/m1/s1.
What are the key properties of N-(4-chlorophenyl)-2-[(4R)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-1-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]acetamide?
N-(4-chlorophenyl)-2-[(4R)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-1-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]acetamide has a molecular weight of 457.98 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(4R)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-1-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]acetamide is sourced from PubChem (CID 26525219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).