methyl 2-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]acetate

C11H15NO3S — CID 17249329

IUPACmethyl 2-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]acetate
SMILESCCc1c(C(=O)NCC(=O)OC)csc1C
InChIInChI=1S/C11H15NO3S/c1-4-8-7(2)16-6-9(8)11(14)12-5-10(13)15-3/h6H,4-5H2,1-3H3,(H,12,14)
InChIKeyGMEKOMYGXIVSBW-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.52
Rot. Bonds4

About methyl 2-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]acetate

methyl 2-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]acetate (PubChem CID 17249329) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is methyl 2-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]acetate
PubChem CID17249329
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Namemethyl 2-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]acetate
SMILESCCc1c(C(=O)NCC(=O)OC)csc1C
InChIInChI=1S/C11H15NO3S/c1-4-8-7(2)16-6-9(8)11(14)12-5-10(13)15-3/h6H,4-5H2,1-3H3,(H,12,14)
InChIKeyGMEKOMYGXIVSBW-UHFFFAOYSA-N
XLogP1.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]acetate (CID 17249329) is methyl 2-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]acetate is CCc1c(C(=O)NCC(=O)OC)csc1C.
What is the InChIKey of methyl 2-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]acetate?
The InChIKey is GMEKOMYGXIVSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-4-8-7(2)16-6-9(8)11(14)12-5-10(13)15-3/h6H,4-5H2,1-3H3,(H,12,14).
What are the key properties of methyl 2-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]acetate?
methyl 2-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]acetate has a molecular weight of 241.31 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]acetate is sourced from PubChem (CID 17249329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).