N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5-methylsulfonylfuran-2-carboxamide

C15H14Cl2N2O5S — CID 86944126

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5-methylsulfonylfuran-2-carboxamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(S(C)(=O)=O)o1
InChIInChI=1S/C15H14Cl2N2O5S/c1-19(15(21)11-6-7-13(24-11)25(2,22)23)8-12(20)18-14-9(16)4-3-5-10(14)17/h3-7H,8H2,1-2H3,(H,18,20)
InChIKeyTWCMXVOKRWNFNF-UHFFFAOYSA-N
MW405.26 g/mol
LogP2.70
Rot. Bonds5

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5-methylsulfonylfuran-2-carboxamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5-methylsulfonylfuran-2-carboxamide (PubChem CID 86944126) has the molecular formula C15H14Cl2N2O5S and a molecular weight of 405.26 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5-methylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5-methylsulfonylfuran-2-carboxamide
PubChem CID86944126
Molecular FormulaC15H14Cl2N2O5S
Molecular Weight405.26 g/mol
Exact Mass404.00
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5-methylsulfonylfuran-2-carboxamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(S(C)(=O)=O)o1
InChIInChI=1S/C15H14Cl2N2O5S/c1-19(15(21)11-6-7-13(24-11)25(2,22)23)8-12(20)18-14-9(16)4-3-5-10(14)17/h3-7H,8H2,1-2H3,(H,18,20)
InChIKeyTWCMXVOKRWNFNF-UHFFFAOYSA-N
XLogP2.70
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(benzenesulfonylmethyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 27807328
5-(2,3-dichlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 17479648
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide
CID 24817966
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
4-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 27807513
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 27807625
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(dimethylamino)-N-methylbenzamide
CID 9431771
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 40605983
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 25481584
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(4-phenylphenyl)acetamide
CID 27807429
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-nitrobenzamide
CID 40605982
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclobutanecarboxamide
CID 7719861

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5-methylsulfonylfuran-2-carboxamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5-methylsulfonylfuran-2-carboxamide (CID 86944126) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5-methylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5-methylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5-methylsulfonylfuran-2-carboxamide is CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(S(C)(=O)=O)o1.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5-methylsulfonylfuran-2-carboxamide?
The InChIKey is TWCMXVOKRWNFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O5S/c1-19(15(21)11-6-7-13(24-11)25(2,22)23)8-12(20)18-14-9(16)4-3-5-10(14)17/h3-7H,8H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5-methylsulfonylfuran-2-carboxamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5-methylsulfonylfuran-2-carboxamide has a molecular weight of 405.26 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5-methylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 86944126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).