[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate

C20H17Cl2N3O6S — CID 2078980

IUPAC[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESCc1c(Cl)cnc(NC(=O)COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c1Cl
InChIInChI=1S/C20H17Cl2N3O6S/c1-12-16(21)10-23-19(18(12)22)25-17(26)11-31-20(27)13-4-6-15(7-5-13)32(28,29)24-9-14-3-2-8-30-14/h2-8,10,24H,9,11H2,1H3,(H,23,25,26)
InChIKeyKGLKJDUYBRUHAB-UHFFFAOYSA-N
MW498.34 g/mol
LogP3.56
Rot. Bonds8

About [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate

[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate (PubChem CID 2078980) has the molecular formula C20H17Cl2N3O6S and a molecular weight of 498.34 g/mol. Its IUPAC name is [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
PubChem CID2078980
Molecular FormulaC20H17Cl2N3O6S
Molecular Weight498.34 g/mol
Exact Mass497.02
IUPAC Name[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESCc1c(Cl)cnc(NC(=O)COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c1Cl
InChIInChI=1S/C20H17Cl2N3O6S/c1-12-16(21)10-23-19(18(12)22)25-17(26)11-31-20(27)13-4-6-15(7-5-13)32(28,29)24-9-14-3-2-8-30-14/h2-8,10,24H,9,11H2,1H3,(H,23,25,26)
InChIKeyKGLKJDUYBRUHAB-UHFFFAOYSA-N
XLogP3.56
TPSA127.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.34
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate with MolForge

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Related Compounds

[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 2096277
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2533346
[1-[(3,5-Dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(furan-2-ylmethylamino)benzoate
CID 2998877
[1-[(5-Chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3365953
[2-[(3,5-Dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-4-methylsulfanylbutanoate
CID 4841521
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 4853299
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 6293013
4-[(E)-N-[(3,5-Dichloropyridin-2-yl)amino]-C-methylcarbonimidoyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 9657400
4-(furan-2-ylmethylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 18106954
[2-[(3,5-Dichloro-4-methylpyridin-2-yl)amino]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 4969723
[2-[(3,5-Dichloro-4-methylpyridin-2-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate
CID 2997766
4-(furan-2-ylmethylsulfamoyl)-N-(3-methyl-2-pyridinyl)benzamide
CID 18107077

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate (CID 2078980) is [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate is Cc1c(Cl)cnc(NC(=O)COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c1Cl.
What is the InChIKey of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The InChIKey is KGLKJDUYBRUHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O6S/c1-12-16(21)10-23-19(18(12)22)25-17(26)11-31-20(27)13-4-6-15(7-5-13)32(28,29)24-9-14-3-2-8-30-14/h2-8,10,24H,9,11H2,1H3,(H,23,25,26).
What are the key properties of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate has a molecular weight of 498.34 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 2078980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).