N-[4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfonylphenyl]acetamide

C24H18ClN3O4S — CID 3895481

IUPACN-[4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2C(=O)C(=Cc3ccc(Cl)cc3)N=C2c2ccccc2)cc1
InChIInChI=1S/C24H18ClN3O4S/c1-16(29)26-20-11-13-21(14-12-20)33(31,32)28-23(18-5-3-2-4-6-18)27-22(24(28)30)15-17-7-9-19(25)10-8-17/h2-15H,1H3,(H,26,29)
InChIKeyMLJHYSTXYQJPDS-UHFFFAOYSA-N
MW479.95 g/mol
LogP4.32
Rot. Bonds5

About N-[4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfonylphenyl]acetamide

N-[4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfonylphenyl]acetamide (PubChem CID 3895481) has the molecular formula C24H18ClN3O4S and a molecular weight of 479.95 g/mol. Its IUPAC name is N-[4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfonylphenyl]acetamide
PubChem CID3895481
Molecular FormulaC24H18ClN3O4S
Molecular Weight479.95 g/mol
Exact Mass479.07
IUPAC NameN-[4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2C(=O)C(=Cc3ccc(Cl)cc3)N=C2c2ccccc2)cc1
InChIInChI=1S/C24H18ClN3O4S/c1-16(29)26-20-11-13-21(14-12-20)33(31,32)28-23(18-5-3-2-4-6-18)27-22(24(28)30)15-17-7-9-19(25)10-8-17/h2-15H,1H3,(H,26,29)
InChIKeyMLJHYSTXYQJPDS-UHFFFAOYSA-N
XLogP4.32
TPSA95.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.95
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[4-[(4-methylsulfanylphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]acetamide
CID 1275634
N-[4-[[(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]acetamide
CID 6979157
5-[(4-chlorophenyl)methylidene]-3-methyl-2-phenylimidazol-4-one
CID 71951452
4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(4-methylphenyl)benzamide
CID 3842568
(5Z)-5-[(4-chlorophenyl)methylidene]-3-[2-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]ethyl]-2-phenylimidazol-4-one
CID 6532748
N-[4-[4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]acetamide
CID 3701856
2-(4-chlorophenyl)-N-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetamide
CID 10622588
(5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one
CID 6014630
4-acetamido-N-[(4Z)-4-[(2,4-dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methoxybenzamide
CID 5472047
(5E)-5-benzylidene-3-[(E)-(4-chlorophenyl)methylideneamino]-2-phenylimidazol-4-one
CID 20845059
N-[4-[(Z)-[2-(2,4-dichlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide
CID 2376203
N-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]acetamide
CID 137067085

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfonylphenyl]acetamide (CID 3895481) is N-[4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2C(=O)C(=Cc3ccc(Cl)cc3)N=C2c2ccccc2)cc1.
What is the InChIKey of N-[4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfonylphenyl]acetamide?
The InChIKey is MLJHYSTXYQJPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O4S/c1-16(29)26-20-11-13-21(14-12-20)33(31,32)28-23(18-5-3-2-4-6-18)27-22(24(28)30)15-17-7-9-19(25)10-8-17/h2-15H,1H3,(H,26,29).
What are the key properties of N-[4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfonylphenyl]acetamide has a molecular weight of 479.95 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 3895481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).