(2-amino-2-oxoethyl) 4-(furan-2-ylmethylsulfamoyl)benzoate

C14H14N2O6S — CID 2401241

IUPAC(2-amino-2-oxoethyl) 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESNC(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C14H14N2O6S/c15-13(17)9-22-14(18)10-3-5-12(6-4-10)23(19,20)16-8-11-2-1-7-21-11/h1-7,16H,8-9H2,(H2,15,17)
InChIKeyAJKHMUMYCXRDCE-UHFFFAOYSA-N
MW338.34 g/mol
LogP0.40
Rot. Bonds7

About (2-amino-2-oxoethyl) 4-(furan-2-ylmethylsulfamoyl)benzoate

(2-amino-2-oxoethyl) 4-(furan-2-ylmethylsulfamoyl)benzoate (PubChem CID 2401241) has the molecular formula C14H14N2O6S and a molecular weight of 338.34 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 4-(furan-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 4-(furan-2-ylmethylsulfamoyl)benzoate
PubChem CID2401241
Molecular FormulaC14H14N2O6S
Molecular Weight338.34 g/mol
Exact Mass338.06
IUPAC Name(2-amino-2-oxoethyl) 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESNC(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C14H14N2O6S/c15-13(17)9-22-14(18)10-3-5-12(6-4-10)23(19,20)16-8-11-2-1-7-21-11/h1-7,16H,8-9H2,(H2,15,17)
InChIKeyAJKHMUMYCXRDCE-UHFFFAOYSA-N
XLogP0.40
TPSA128.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
CID 2905675
4-Dipropylsulfamoyl-N-furan-2-ylmethyl-benzamide
CID 1128083
[2-[(4-Methoxyphenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2116217
[2-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2355620
N-Furan-2-ylmethyl-4-[(tetrahydro-furan-2-ylmethyl)-sulfamoyl]-benzamide
CID 645494
3-(2-Furyl)-3-{[(4-methylphenyl)sulfonyl]amino}propanoic acid
CID 3238958
N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 641766
(2E)-3-(4-{[(furan-2-yl)methyl]sulfamoyl}phenyl)prop-2-enoic acid
CID 779298
4-[(Furan-2-ylmethyl)-sulfamoyl]-N-(2-methyl-cyclohexyl)-benzamide
CID 645121
Methyl (4-{[(2-furylmethyl)amino]sulfonyl}phenoxy)acetate
CID 893294
3-{4-[(benzylamino)sulfonyl]phenyl}-N-(2-furylmethyl)propanamide
CID 1006947
N-(2-furylmethyl)-3-(4-{[(2-phenylethyl)amino]sulfonyl}phenyl)propanamide
CID 1006998

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 4-(furan-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of (2-amino-2-oxoethyl) 4-(furan-2-ylmethylsulfamoyl)benzoate (CID 2401241) is (2-amino-2-oxoethyl) 4-(furan-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 4-(furan-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for (2-amino-2-oxoethyl) 4-(furan-2-ylmethylsulfamoyl)benzoate is NC(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of (2-amino-2-oxoethyl) 4-(furan-2-ylmethylsulfamoyl)benzoate?
The InChIKey is AJKHMUMYCXRDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O6S/c15-13(17)9-22-14(18)10-3-5-12(6-4-10)23(19,20)16-8-11-2-1-7-21-11/h1-7,16H,8-9H2,(H2,15,17).
What are the key properties of (2-amino-2-oxoethyl) 4-(furan-2-ylmethylsulfamoyl)benzoate?
(2-amino-2-oxoethyl) 4-(furan-2-ylmethylsulfamoyl)benzoate has a molecular weight of 338.34 g/mol, XLogP of 0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 4-(furan-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 2401241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).