[2-(2-methoxyanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate

C21H20N2O7S — CID 2115978

IUPAC[2-(2-methoxyanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESCOc1ccccc1NC(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C21H20N2O7S/c1-28-19-7-3-2-6-18(19)23-20(24)14-30-21(25)15-8-10-17(11-9-15)31(26,27)22-13-16-5-4-12-29-16/h2-12,22H,13-14H2,1H3,(H,23,24)
InChIKeyCDKBCHROXCQPOQ-UHFFFAOYSA-N
MW444.47 g/mol
LogP2.56
Rot. Bonds9

About [2-(2-methoxyanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate

[2-(2-methoxyanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate (PubChem CID 2115978) has the molecular formula C21H20N2O7S and a molecular weight of 444.47 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(2-methoxyanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
PubChem CID2115978
Molecular FormulaC21H20N2O7S
Molecular Weight444.47 g/mol
Exact Mass444.10
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESCOc1ccccc1NC(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C21H20N2O7S/c1-28-19-7-3-2-6-18(19)23-20(24)14-30-21(25)15-8-10-17(11-9-15)31(26,27)22-13-16-5-4-12-29-16/h2-12,22H,13-14H2,1H3,(H,23,24)
InChIKeyCDKBCHROXCQPOQ-UHFFFAOYSA-N
XLogP2.56
TPSA123.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
N-Furan-2-ylmethyl-4-[4-(4-methoxy-phenyl)-piperazine-1-sulfonyl]-benzamide
CID 652023
N-(2-methoxy-5-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}phenyl)benzamide
CID 2987883
[2-[(4-Methoxyphenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2116217
2-chloro-N-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2565072
(2-anilino-2-oxoethyl) (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 2645969
N-(furan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2704666
4-[ethyl(phenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 3314293
Anti-Influenza agent 4
CID 4156245
(1-Anilino-1-oxopropan-2-yl) 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 4791564
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 5798111
4-(dimethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 1277944

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate (CID 2115978) is [2-(2-methoxyanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for [2-(2-methoxyanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for [2-(2-methoxyanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate is COc1ccccc1NC(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of [2-(2-methoxyanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The InChIKey is CDKBCHROXCQPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O7S/c1-28-19-7-3-2-6-18(19)23-20(24)14-30-21(25)15-8-10-17(11-9-15)31(26,27)22-13-16-5-4-12-29-16/h2-12,22H,13-14H2,1H3,(H,23,24).
What are the key properties of [2-(2-methoxyanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
[2-(2-methoxyanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate has a molecular weight of 444.47 g/mol, XLogP of 2.56, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 2115978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).