2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide

C20H15Cl4N3O4S — CID 126033637

IUPAC2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
SMILESCS(=O)(=O)N(CC(=O)N/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H15Cl4N3O4S/c1-32(29,30)27(18-9-13(22)3-6-16(18)23)11-20(28)26-25-10-14-4-7-19(31-14)15-5-2-12(21)8-17(15)24/h2-10H,11H2,1H3,(H,26,28)/b25-10-
InChIKeyBCIOMWUQYHVUNW-MRUKODCESA-N
MW535.24 g/mol
LogP5.48
Rot. Bonds7

About 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide

2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide (PubChem CID 126033637) has the molecular formula C20H15Cl4N3O4S and a molecular weight of 535.24 g/mol. Its IUPAC name is 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
PubChem CID126033637
Molecular FormulaC20H15Cl4N3O4S
Molecular Weight535.24 g/mol
Exact Mass532.95
IUPAC Name2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
SMILESCS(=O)(=O)N(CC(=O)N/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H15Cl4N3O4S/c1-32(29,30)27(18-9-13(22)3-6-16(18)23)11-20(28)26-25-10-14-4-7-19(31-14)15-5-2-12(21)8-17(15)24/h2-10H,11H2,1H3,(H,26,28)/b25-10-
InChIKeyBCIOMWUQYHVUNW-MRUKODCESA-N
XLogP5.48
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.24
LogP ≤ 55.48
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

N-[(Z)-benzylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 126033666
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
CID 126034348
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 5020035
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
CID 126034228
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
CID 4312260
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 6033940
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-morpholin-4-ylacetamide
CID 6152553
N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)methanesulfonamide
CID 50892714
N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 126031327
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 126032572
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide
CID 5349202
N-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide
CID 25247238

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide?
The IUPAC name of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide (CID 126033637) is 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide is CS(=O)(=O)N(CC(=O)N/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide?
The InChIKey is BCIOMWUQYHVUNW-MRUKODCESA-N. The full InChI is InChI=1S/C20H15Cl4N3O4S/c1-32(29,30)27(18-9-13(22)3-6-16(18)23)11-20(28)26-25-10-14-4-7-19(31-14)15-5-2-12(21)8-17(15)24/h2-10H,11H2,1H3,(H,26,28)/b25-10-.
What are the key properties of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide?
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide has a molecular weight of 535.24 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide is sourced from PubChem (CID 126033637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).