[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate

C24H23N3O7S — CID 16526919

IUPAC[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESO=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C24H23N3O7S/c28-22(27-21-6-2-1-5-20(21)23(29)26-17-9-10-17)15-34-24(30)16-7-11-19(12-8-16)35(31,32)25-14-18-4-3-13-33-18/h1-8,11-13,17,25H,9-10,14-15H2,(H,26,29)(H,27,28)
InChIKeyODHWEEKEQVNLRY-UHFFFAOYSA-N
MW497.53 g/mol
LogP2.45
Rot. Bonds10

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

[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate (PubChem CID 16526919) has the molecular formula C24H23N3O7S and a molecular weight of 497.53 g/mol. Its IUPAC name is [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
PubChem CID16526919
Molecular FormulaC24H23N3O7S
Molecular Weight497.53 g/mol
Exact Mass497.13
IUPAC Name[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESO=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C24H23N3O7S/c28-22(27-21-6-2-1-5-20(21)23(29)26-17-9-10-17)15-34-24(30)16-7-11-19(12-8-16)35(31,32)25-14-18-4-3-13-33-18/h1-8,11-13,17,25H,9-10,14-15H2,(H,26,29)(H,27,28)
InChIKeyODHWEEKEQVNLRY-UHFFFAOYSA-N
XLogP2.45
TPSA143.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.53
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(cyclohexylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2401305
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 16526843
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 16526906
2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3292841
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] furan-2-carboxylate
CID 7813805
benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765854
[2-(1-adamantylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 4310598
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2550017
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2418521
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 7291060
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2409383
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 16519219

Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate (CID 16526919) is [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate is O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The InChIKey is ODHWEEKEQVNLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O7S/c28-22(27-21-6-2-1-5-20(21)23(29)26-17-9-10-17)15-34-24(30)16-7-11-19(12-8-16)35(31,32)25-14-18-4-3-13-33-18/h1-8,11-13,17,25H,9-10,14-15H2,(H,26,29)(H,27,28).
What are the key properties of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate has a molecular weight of 497.53 g/mol, XLogP of 2.45, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 16526919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).