ethyl 2-(ethoxycarbonylsulfamoylamino)-5-methylthiophene-3-carboxylate

C11H16N2O6S2 — CID 114465520

IUPACethyl 2-(ethoxycarbonylsulfamoylamino)-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)NS(=O)(=O)Nc1sc(C)cc1C(=O)OCC
InChIInChI=1S/C11H16N2O6S2/c1-4-18-10(14)8-6-7(3)20-9(8)12-21(16,17)13-11(15)19-5-2/h6,12H,4-5H2,1-3H3,(H,13,15)
InChIKeyGNCZTCCKQFEPMU-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.64
Rot. Bonds6

About ethyl 2-(ethoxycarbonylsulfamoylamino)-5-methylthiophene-3-carboxylate

ethyl 2-(ethoxycarbonylsulfamoylamino)-5-methylthiophene-3-carboxylate (PubChem CID 114465520) has the molecular formula C11H16N2O6S2 and a molecular weight of 336.39 g/mol. Its IUPAC name is ethyl 2-(ethoxycarbonylsulfamoylamino)-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(ethoxycarbonylsulfamoylamino)-5-methylthiophene-3-carboxylate
PubChem CID114465520
Molecular FormulaC11H16N2O6S2
Molecular Weight336.39 g/mol
Exact Mass336.04
IUPAC Nameethyl 2-(ethoxycarbonylsulfamoylamino)-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)NS(=O)(=O)Nc1sc(C)cc1C(=O)OCC
InChIInChI=1S/C11H16N2O6S2/c1-4-18-10(14)8-6-7(3)20-9(8)12-21(16,17)13-11(15)19-5-2/h6,12H,4-5H2,1-3H3,(H,13,15)
InChIKeyGNCZTCCKQFEPMU-UHFFFAOYSA-N
XLogP1.64
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[(3-methoxy-3-oxopropyl)sulfonylamino]-5-methylthiophene-3-carboxylate
CID 63617191
4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)sulfamoyl]butanoic acid
CID 63618726
ethyl 5-methyl-2-(2-propan-2-yloxyethylsulfonylamino)thiophene-3-carboxylate
CID 79592877
ethyl 2-[(3-chloro-2-methylpropyl)sulfonylamino]-5-methylthiophene-3-carboxylate
CID 79585352
ethyl 2-[(3-bromothiophen-2-yl)sulfonylamino]-5-methylthiophene-3-carboxylate
CID 63617527
ethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate
CID 63619076
ethyl 5-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]thiophene-3-carboxylate
CID 104710371
ethyl 2-[(2-amino-2-methylpropanoyl)amino]-5-methylthiophene-3-carboxylate
CID 63618036
ethyl 2-(tert-butylsulfamoylamino)-5-ethylthiophene-3-carboxylate
CID 114811418
4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid
CID 831651
ethyl 5-methyl-2-(propylcarbamoylamino)thiophene-3-carboxylate
CID 63616856
ethyl 2-[(1-aminocyclopropanecarbonyl)amino]-5-methylthiophene-3-carboxylate
CID 65457704

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethoxycarbonylsulfamoylamino)-5-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-(ethoxycarbonylsulfamoylamino)-5-methylthiophene-3-carboxylate (CID 114465520) is ethyl 2-(ethoxycarbonylsulfamoylamino)-5-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-(ethoxycarbonylsulfamoylamino)-5-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-(ethoxycarbonylsulfamoylamino)-5-methylthiophene-3-carboxylate is CCOC(=O)NS(=O)(=O)Nc1sc(C)cc1C(=O)OCC.
What is the InChIKey of ethyl 2-(ethoxycarbonylsulfamoylamino)-5-methylthiophene-3-carboxylate?
The InChIKey is GNCZTCCKQFEPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O6S2/c1-4-18-10(14)8-6-7(3)20-9(8)12-21(16,17)13-11(15)19-5-2/h6,12H,4-5H2,1-3H3,(H,13,15).
What are the key properties of ethyl 2-(ethoxycarbonylsulfamoylamino)-5-methylthiophene-3-carboxylate?
ethyl 2-(ethoxycarbonylsulfamoylamino)-5-methylthiophene-3-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethoxycarbonylsulfamoylamino)-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 114465520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).