N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide

C26H20Cl2FN3O4S — CID 5020035

IUPACN-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H20Cl2FN3O4S/c1-17-2-10-22(11-3-17)37(34,35)32(20-7-5-19(29)6-8-20)16-26(33)31-30-15-21-9-13-25(36-21)23-12-4-18(27)14-24(23)28/h2-15H,16H2,1H3,(H,31,33)
InChIKeyFIYLIRJEVHCIKU-UHFFFAOYSA-N
MW560.43 g/mol
LogP6.05
Rot. Bonds8

About N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide

N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 5020035) has the molecular formula C26H20Cl2FN3O4S and a molecular weight of 560.43 g/mol. Its IUPAC name is N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID5020035
Molecular FormulaC26H20Cl2FN3O4S
Molecular Weight560.43 g/mol
Exact Mass559.05
IUPAC NameN-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H20Cl2FN3O4S/c1-17-2-10-22(11-3-17)37(34,35)32(20-7-5-19(29)6-8-20)16-26(33)31-30-15-21-9-13-25(36-21)23-12-4-18(27)14-24(23)28/h2-15H,16H2,1H3,(H,31,33)
InChIKeyFIYLIRJEVHCIKU-UHFFFAOYSA-N
XLogP6.05
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.43
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
CID 92644226
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 126033637
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 6033940
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
CID 92661473
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 2249406
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126192299
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
CID 6042405
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide
CID 92644228
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 6876748
ethyl 4-[5-[(Z)-[[2-(N-(4-chlorophenyl)sulfonylanilino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 126035217
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 92644255
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 92661504

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 5020035) is N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is FIYLIRJEVHCIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2FN3O4S/c1-17-2-10-22(11-3-17)37(34,35)32(20-7-5-19(29)6-8-20)16-26(33)31-30-15-21-9-13-25(36-21)23-12-4-18(27)14-24(23)28/h2-15H,16H2,1H3,(H,31,33).
What are the key properties of N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 560.43 g/mol, XLogP of 6.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 5020035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).