ethyl 4-carbamoyl-5-ethylsulfanyl-3-methylthiophene-2-carboxylate

C11H15NO3S2 — CID 102589254

IUPACethyl 4-carbamoyl-5-ethylsulfanyl-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(SCC)c(C(N)=O)c1C
InChIInChI=1S/C11H15NO3S2/c1-4-15-10(14)8-6(3)7(9(12)13)11(17-8)16-5-2/h4-5H2,1-3H3,(H2,12,13)
InChIKeyAUEWFCSIJOPVST-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.44
Rot. Bonds5

About ethyl 4-carbamoyl-5-ethylsulfanyl-3-methylthiophene-2-carboxylate

ethyl 4-carbamoyl-5-ethylsulfanyl-3-methylthiophene-2-carboxylate (PubChem CID 102589254) has the molecular formula C11H15NO3S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is ethyl 4-carbamoyl-5-ethylsulfanyl-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-carbamoyl-5-ethylsulfanyl-3-methylthiophene-2-carboxylate
PubChem CID102589254
Molecular FormulaC11H15NO3S2
Molecular Weight273.38 g/mol
Exact Mass273.05
IUPAC Nameethyl 4-carbamoyl-5-ethylsulfanyl-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(SCC)c(C(N)=O)c1C
InChIInChI=1S/C11H15NO3S2/c1-4-15-10(14)8-6(3)7(9(12)13)11(17-8)16-5-2/h4-5H2,1-3H3,(H2,12,13)
InChIKeyAUEWFCSIJOPVST-UHFFFAOYSA-N
XLogP2.44
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-O-ethyl 4-O-methyl 3-amino-5-ethylsulfanylthiophene-2,4-dicarboxylate
CID 103417394
ethyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate
CID 103417399
diethyl 5-chloro-3-methylthiophene-2,4-dicarboxylate
CID 155671928
diethyl 5-(carbamothioylamino)-3-methylthiophene-2,4-dicarboxylate
CID 2771018
3-amino-5-ethylsulfanyl-2-N-propylthiophene-2,4-dicarboxamide
CID 103417444
ethyl 3-amino-5-carbamoyl-4-methylthiophene-2-carboxylate
CID 602876
ethyl 3-(4-tert-butylphenyl)-5-ethylsulfanyl-4-isocyanothiophene-2-carboxylate
CID 58873150
ethane;ethyl 4-cyano-3-methyl-5-methylsulfanylthiophene-2-carboxylate
CID 143914737
ethyl 5-(1,3-benzothiazole-2-carbonylamino)-4-carbamoyl-3-methylthiophene-2-carboxylate
CID 7521205
ethyl 3-amino-5-ethylsulfanylthiophene-2-carboxylate
CID 103417485
ethyl 4-carbamoyl-5-[(2,4-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylate
CID 1219793
ethyl 5-[(2-bromobenzoyl)amino]-4-carbamoyl-3-methylthiophene-2-carboxylate
CID 7521196

Frequently Asked Questions

What is the IUPAC name of ethyl 4-carbamoyl-5-ethylsulfanyl-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 4-carbamoyl-5-ethylsulfanyl-3-methylthiophene-2-carboxylate (CID 102589254) is ethyl 4-carbamoyl-5-ethylsulfanyl-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 4-carbamoyl-5-ethylsulfanyl-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 4-carbamoyl-5-ethylsulfanyl-3-methylthiophene-2-carboxylate is CCOC(=O)c1sc(SCC)c(C(N)=O)c1C.
What is the InChIKey of ethyl 4-carbamoyl-5-ethylsulfanyl-3-methylthiophene-2-carboxylate?
The InChIKey is AUEWFCSIJOPVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S2/c1-4-15-10(14)8-6(3)7(9(12)13)11(17-8)16-5-2/h4-5H2,1-3H3,(H2,12,13).
What are the key properties of ethyl 4-carbamoyl-5-ethylsulfanyl-3-methylthiophene-2-carboxylate?
ethyl 4-carbamoyl-5-ethylsulfanyl-3-methylthiophene-2-carboxylate has a molecular weight of 273.38 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-carbamoyl-5-ethylsulfanyl-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 102589254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).