(2-amino-2-oxo-1-phenylethyl) 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate

C21H20N2O6S — CID 46691070

IUPAC(2-amino-2-oxo-1-phenylethyl) 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)OC(C(N)=O)c1ccccc1
InChIInChI=1S/C21H20N2O6S/c1-14-9-10-17(30(26,27)23-13-16-8-5-11-28-16)12-18(14)21(25)29-19(20(22)24)15-6-3-2-4-7-15/h2-12,19,23H,13H2,1H3,(H2,22,24)
InChIKeyUMLYXCMUKFFZHD-UHFFFAOYSA-N
MW428.47 g/mol
LogP2.45
Rot. Bonds8

About (2-amino-2-oxo-1-phenylethyl) 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate

(2-amino-2-oxo-1-phenylethyl) 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate (PubChem CID 46691070) has the molecular formula C21H20N2O6S and a molecular weight of 428.47 g/mol. Its IUPAC name is (2-amino-2-oxo-1-phenylethyl) 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate.

Molecular Properties

Compound Name(2-amino-2-oxo-1-phenylethyl) 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
PubChem CID46691070
Molecular FormulaC21H20N2O6S
Molecular Weight428.47 g/mol
Exact Mass428.10
IUPAC Name(2-amino-2-oxo-1-phenylethyl) 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)OC(C(N)=O)c1ccccc1
InChIInChI=1S/C21H20N2O6S/c1-14-9-10-17(30(26,27)23-13-16-8-5-11-28-16)12-18(14)21(25)29-19(20(22)24)15-6-3-2-4-7-15/h2-12,19,23H,13H2,1H3,(H2,22,24)
InChIKeyUMLYXCMUKFFZHD-UHFFFAOYSA-N
XLogP2.45
TPSA128.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2-amino-2-oxo-1-phenylethyl) 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate with MolForge

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Related Compounds

2-methylprop-2-enyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 18099904
3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 43002494
[2-oxo-2-(3-phenylpropylamino)ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 33495176
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 42988578
[2-(tert-butylamino)-2-oxoethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 55323321
[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5-(ethylsulfamoyl)-2-methylbenzoate
CID 46794148
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934312
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 43015178
3-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid
CID 119237132
methyl 2-bromo-5-(furan-2-ylmethylsulfamoyl)benzoate
CID 51289514
[(1R)-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 8663360
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 78863657

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxo-1-phenylethyl) 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate?
The IUPAC name of (2-amino-2-oxo-1-phenylethyl) 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate (CID 46691070) is (2-amino-2-oxo-1-phenylethyl) 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate.
What is the SMILES notation for (2-amino-2-oxo-1-phenylethyl) 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate?
The canonical SMILES for (2-amino-2-oxo-1-phenylethyl) 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate is Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)OC(C(N)=O)c1ccccc1.
What is the InChIKey of (2-amino-2-oxo-1-phenylethyl) 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate?
The InChIKey is UMLYXCMUKFFZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O6S/c1-14-9-10-17(30(26,27)23-13-16-8-5-11-28-16)12-18(14)21(25)29-19(20(22)24)15-6-3-2-4-7-15/h2-12,19,23H,13H2,1H3,(H2,22,24).
What are the key properties of (2-amino-2-oxo-1-phenylethyl) 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate?
(2-amino-2-oxo-1-phenylethyl) 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate has a molecular weight of 428.47 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxo-1-phenylethyl) 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate is sourced from PubChem (CID 46691070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).