methyl 3-(2-ethoxypropanoylsulfamoyl)thiophene-2-carboxylate

C11H15NO6S2 — CID 71892320

IUPACmethyl 3-(2-ethoxypropanoylsulfamoyl)thiophene-2-carboxylate
SMILESCCOC(C)C(=O)NS(=O)(=O)c1ccsc1C(=O)OC
InChIInChI=1S/C11H15NO6S2/c1-4-18-7(2)10(13)12-20(15,16)8-5-6-19-9(8)11(14)17-3/h5-7H,4H2,1-3H3,(H,12,13)
InChIKeyCXPWRXDHNGKCRD-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.76
Rot. Bonds6

About methyl 3-(2-ethoxypropanoylsulfamoyl)thiophene-2-carboxylate

methyl 3-(2-ethoxypropanoylsulfamoyl)thiophene-2-carboxylate (PubChem CID 71892320) has the molecular formula C11H15NO6S2 and a molecular weight of 321.38 g/mol. Its IUPAC name is methyl 3-(2-ethoxypropanoylsulfamoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-ethoxypropanoylsulfamoyl)thiophene-2-carboxylate
PubChem CID71892320
Molecular FormulaC11H15NO6S2
Molecular Weight321.38 g/mol
Exact Mass321.03
IUPAC Namemethyl 3-(2-ethoxypropanoylsulfamoyl)thiophene-2-carboxylate
SMILESCCOC(C)C(=O)NS(=O)(=O)c1ccsc1C(=O)OC
InChIInChI=1S/C11H15NO6S2/c1-4-18-7(2)10(13)12-20(15,16)8-5-6-19-9(8)11(14)17-3/h5-7H,4H2,1-3H3,(H,12,13)
InChIKeyCXPWRXDHNGKCRD-UHFFFAOYSA-N
XLogP0.76
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-[[(2S)-2-but-3-enoxypropanoyl]sulfamoyl]thiophene-2-carboxylate
CID 95161365
methyl 3-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate
CID 78836894
2-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]pentanoic acid
CID 43631169
(2S)-2-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]hexanoic acid
CID 104934657
methyl 3-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]thiophene-2-carboxylate
CID 43409814
2-hydroxy-3-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]propanoic acid
CID 66166894
methyl 3-[(4-ethoxyphenyl)sulfamoyl]thiophene-2-carboxylate
CID 16831992
methyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate
CID 43603472
methyl 3-(hexylsulfamoyl)thiophene-2-carboxylate;molecular hydrogen;propane
CID 142506326
methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate
CID 25044512
methyl 3-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]sulfamoyl]thiophene-2-carboxylate
CID 47034950
methyl 3-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-2-carboxylate
CID 112673568

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-ethoxypropanoylsulfamoyl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(2-ethoxypropanoylsulfamoyl)thiophene-2-carboxylate (CID 71892320) is methyl 3-(2-ethoxypropanoylsulfamoyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(2-ethoxypropanoylsulfamoyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(2-ethoxypropanoylsulfamoyl)thiophene-2-carboxylate is CCOC(C)C(=O)NS(=O)(=O)c1ccsc1C(=O)OC.
What is the InChIKey of methyl 3-(2-ethoxypropanoylsulfamoyl)thiophene-2-carboxylate?
The InChIKey is CXPWRXDHNGKCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6S2/c1-4-18-7(2)10(13)12-20(15,16)8-5-6-19-9(8)11(14)17-3/h5-7H,4H2,1-3H3,(H,12,13).
What are the key properties of methyl 3-(2-ethoxypropanoylsulfamoyl)thiophene-2-carboxylate?
methyl 3-(2-ethoxypropanoylsulfamoyl)thiophene-2-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-ethoxypropanoylsulfamoyl)thiophene-2-carboxylate is sourced from PubChem (CID 71892320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).