[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 5-methylfuran-2-carboxylate

C16H18N2O6S — CID 4842674

IUPAC[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 5-methylfuran-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)o1
InChIInChI=1S/C16H18N2O6S/c1-11-2-7-14(24-11)16(20)23-10-15(19)18-9-8-12-3-5-13(6-4-12)25(17,21)22/h2-7H,8-10H2,1H3,(H,18,19)(H2,17,21,22)
InChIKeyBWIHJBAGTFUMEV-UHFFFAOYSA-N
MW366.40 g/mol
LogP0.75
Rot. Bonds7

About [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 5-methylfuran-2-carboxylate

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 5-methylfuran-2-carboxylate (PubChem CID 4842674) has the molecular formula C16H18N2O6S and a molecular weight of 366.40 g/mol. Its IUPAC name is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 5-methylfuran-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 5-methylfuran-2-carboxylate
PubChem CID4842674
Molecular FormulaC16H18N2O6S
Molecular Weight366.40 g/mol
Exact Mass366.09
IUPAC Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 5-methylfuran-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)o1
InChIInChI=1S/C16H18N2O6S/c1-11-2-7-14(24-11)16(20)23-10-15(19)18-9-8-12-3-5-13(6-4-12)25(17,21)22/h2-7H,8-10H2,1H3,(H,18,19)(H2,17,21,22)
InChIKeyBWIHJBAGTFUMEV-UHFFFAOYSA-N
XLogP0.75
TPSA128.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
CID 2905675
Bis(2-benzamidoethyl) furan-2,5-dicarboxylate
CID 2927045
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2092952
Sdccgsbi-0662220.P001
CID 2122148
[2-(Cyclohexylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2401305
4-(Dimethylsulfamoyl)benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
CID 2428192
[2-(Dimethylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2448843
Methyl 5-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]oxymethyl]furan-2-carboxylate
CID 2569129
1-(3,4-Dimethylphenyl)sulfonylisonipecotic acid (5-carbomethoxy-2-furyl)methyl ester
CID 24686803
[2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 2357338
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2455525
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate
CID 6217974

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 5-methylfuran-2-carboxylate?
The IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 5-methylfuran-2-carboxylate (CID 4842674) is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 5-methylfuran-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 5-methylfuran-2-carboxylate?
The canonical SMILES for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 5-methylfuran-2-carboxylate is Cc1ccc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)o1.
What is the InChIKey of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 5-methylfuran-2-carboxylate?
The InChIKey is BWIHJBAGTFUMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6S/c1-11-2-7-14(24-11)16(20)23-10-15(19)18-9-8-12-3-5-13(6-4-12)25(17,21)22/h2-7H,8-10H2,1H3,(H,18,19)(H2,17,21,22).
What are the key properties of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 5-methylfuran-2-carboxylate?
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 5-methylfuran-2-carboxylate has a molecular weight of 366.40 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 5-methylfuran-2-carboxylate is sourced from PubChem (CID 4842674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).