[2-(ethoxycarbonylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate

C11H13NO5S — CID 2628097

IUPAC[2-(ethoxycarbonylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
SMILESCCOC(=O)NC(=O)COC(=O)c1ccc(C)s1
InChIInChI=1S/C11H13NO5S/c1-3-16-11(15)12-9(13)6-17-10(14)8-5-4-7(2)18-8/h4-5H,3,6H2,1-2H3,(H,12,13,15)
InChIKeyPFVOPRINHAUJPK-UHFFFAOYSA-N
MW271.29 g/mol
LogP1.49
Rot. Bonds4

About [2-(ethoxycarbonylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate

[2-(ethoxycarbonylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate (PubChem CID 2628097) has the molecular formula C11H13NO5S and a molecular weight of 271.29 g/mol. Its IUPAC name is [2-(ethoxycarbonylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(ethoxycarbonylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
PubChem CID2628097
Molecular FormulaC11H13NO5S
Molecular Weight271.29 g/mol
Exact Mass271.05
IUPAC Name[2-(ethoxycarbonylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
SMILESCCOC(=O)NC(=O)COC(=O)c1ccc(C)s1
InChIInChI=1S/C11H13NO5S/c1-3-16-11(15)12-9(13)6-17-10(14)8-5-4-7(2)18-8/h4-5H,3,6H2,1-2H3,(H,12,13,15)
InChIKeyPFVOPRINHAUJPK-UHFFFAOYSA-N
XLogP1.49
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-[2-[ethyl-(5-methylthiophene-2-carbonyl)amino]acetyl]carbamate
CID 9324265
diethyl 3-methyl-5-[[2-(5-methylthiophene-2-carbonyl)oxyacetyl]amino]thiophene-2,4-dicarboxylate
CID 3984044
(2-anilino-2-oxoethyl) 5-methylthiophene-2-carboxylate
CID 2503022
[2-(2,6-dimethylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2335919
ethyl 4-ethyl-5-methyl-2-[[2-(5-methylthiophene-2-carbonyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 3999257
[2-(ethoxycarbonylamino)-2-oxoethyl] benzoate
CID 2516974
ethyl 5-ethyl-2-[[2-(5-methylthiophene-2-carbonyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 7505156
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2502889
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2700958
ethyl N-[(5-methylthiophene-2-carbonyl)amino]carbamate
CID 30948448
ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-(5-methylthiophene-2-carbonyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 2640489
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2502981

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate (CID 2628097) is [2-(ethoxycarbonylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-(ethoxycarbonylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The canonical SMILES for [2-(ethoxycarbonylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate is CCOC(=O)NC(=O)COC(=O)c1ccc(C)s1.
What is the InChIKey of [2-(ethoxycarbonylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The InChIKey is PFVOPRINHAUJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5S/c1-3-16-11(15)12-9(13)6-17-10(14)8-5-4-7(2)18-8/h4-5H,3,6H2,1-2H3,(H,12,13,15).
What are the key properties of [2-(ethoxycarbonylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
[2-(ethoxycarbonylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate has a molecular weight of 271.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxycarbonylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate is sourced from PubChem (CID 2628097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).