5-(benzenesulfonylmethyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide

C21H18Cl2N2O5S — CID 27807328

IUPAC5-(benzenesulfonylmethyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C21H18Cl2N2O5S/c1-25(12-19(26)24-20-16(22)8-5-9-17(20)23)21(27)18-11-10-14(30-18)13-31(28,29)15-6-3-2-4-7-15/h2-11H,12-13H2,1H3,(H,24,26)
InChIKeyCUAVHSNVTYNGRE-UHFFFAOYSA-N
MW481.36 g/mol
LogP4.27
Rot. Bonds7

About 5-(benzenesulfonylmethyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide

5-(benzenesulfonylmethyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide (PubChem CID 27807328) has the molecular formula C21H18Cl2N2O5S and a molecular weight of 481.36 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
PubChem CID27807328
Molecular FormulaC21H18Cl2N2O5S
Molecular Weight481.36 g/mol
Exact Mass480.03
IUPAC Name5-(benzenesulfonylmethyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C21H18Cl2N2O5S/c1-25(12-19(26)24-20-16(22)8-5-9-17(20)23)21(27)18-11-10-14(30-18)13-31(28,29)15-6-3-2-4-7-15/h2-11H,12-13H2,1H3,(H,24,26)
InChIKeyCUAVHSNVTYNGRE-UHFFFAOYSA-N
XLogP4.27
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.36
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5-methylsulfonylfuran-2-carboxamide
CID 86944126
5-(benzenesulfonylmethyl)-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 26584463
5-(benzenesulfonylmethyl)-N-methyl-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 32906703
5-(2,3-dichlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 17479648
5-(benzenesulfonylmethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylfuran-2-carboxamide
CID 26266371
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(4-phenylphenyl)acetamide
CID 27807429
5-(benzenesulfonylmethyl)-N-(3-chloro-4-methylphenyl)furan-2-carboxamide
CID 26579656
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-5-(methoxymethyl)furan-2-carboxamide
CID 86912260
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
5-(benzenesulfonylmethyl)-N-(2-methylphenyl)furan-2-carboxamide
CID 27167042
5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 51155551

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide (CID 27807328) is 5-(benzenesulfonylmethyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide is CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
The InChIKey is CUAVHSNVTYNGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O5S/c1-25(12-19(26)24-20-16(22)8-5-9-17(20)23)21(27)18-11-10-14(30-18)13-31(28,29)15-6-3-2-4-7-15/h2-11H,12-13H2,1H3,(H,24,26).
What are the key properties of 5-(benzenesulfonylmethyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
5-(benzenesulfonylmethyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide has a molecular weight of 481.36 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 27807328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).