[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate

C24H25NO6S — CID 2550208

IUPAC[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESCc1cc(C)c(C)c(C(=O)COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c1C
InChIInChI=1S/C24H25NO6S/c1-15-12-16(2)18(4)23(17(15)3)22(26)14-31-24(27)19-7-9-21(10-8-19)32(28,29)25-13-20-6-5-11-30-20/h5-12,25H,13-14H2,1-4H3
InChIKeyXCAGEJLUTMDKGF-UHFFFAOYSA-N
MW455.53 g/mol
LogP4.03
Rot. Bonds8

About [2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate

[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate (PubChem CID 2550208) has the molecular formula C24H25NO6S and a molecular weight of 455.53 g/mol. Its IUPAC name is [2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
PubChem CID2550208
Molecular FormulaC24H25NO6S
Molecular Weight455.53 g/mol
Exact Mass455.14
IUPAC Name[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESCc1cc(C)c(C)c(C(=O)COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c1C
InChIInChI=1S/C24H25NO6S/c1-15-12-16(2)18(4)23(17(15)3)22(26)14-31-24(27)19-7-9-21(10-8-19)32(28,29)25-13-20-6-5-11-30-20/h5-12,25H,13-14H2,1-4H3
InChIKeyXCAGEJLUTMDKGF-UHFFFAOYSA-N
XLogP4.03
TPSA102.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3292841
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2550017
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2550215
benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765854
[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 33495265
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2402315
(7,8-dimethyl-2-oxochromen-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3890109
2-methylprop-2-enyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 18099904
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2418521
[2-(cyclohexylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2401305
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2115625
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 16526843

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of [2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate (CID 2550208) is [2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for [2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for [2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate is Cc1cc(C)c(C)c(C(=O)COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c1C.
What is the InChIKey of [2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The InChIKey is XCAGEJLUTMDKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO6S/c1-15-12-16(2)18(4)23(17(15)3)22(26)14-31-24(27)19-7-9-21(10-8-19)32(28,29)25-13-20-6-5-11-30-20/h5-12,25H,13-14H2,1-4H3.
What are the key properties of [2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate has a molecular weight of 455.53 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 2550208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).