ethyl 5-[(2-ethoxyacetyl)amino]-3-methylthiophene-2-carboxylate

C12H17NO4S — CID 43422858

IUPACethyl 5-[(2-ethoxyacetyl)amino]-3-methylthiophene-2-carboxylate
SMILESCCOCC(=O)Nc1cc(C)c(C(=O)OCC)s1
InChIInChI=1S/C12H17NO4S/c1-4-16-7-9(14)13-10-6-8(3)11(18-10)12(15)17-5-2/h6H,4-5,7H2,1-3H3,(H,13,14)
InChIKeyKBJIDSDCYGJCHX-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.21
Rot. Bonds6

About ethyl 5-[(2-ethoxyacetyl)amino]-3-methylthiophene-2-carboxylate

ethyl 5-[(2-ethoxyacetyl)amino]-3-methylthiophene-2-carboxylate (PubChem CID 43422858) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is ethyl 5-[(2-ethoxyacetyl)amino]-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-ethoxyacetyl)amino]-3-methylthiophene-2-carboxylate
PubChem CID43422858
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Nameethyl 5-[(2-ethoxyacetyl)amino]-3-methylthiophene-2-carboxylate
SMILESCCOCC(=O)Nc1cc(C)c(C(=O)OCC)s1
InChIInChI=1S/C12H17NO4S/c1-4-16-7-9(14)13-10-6-8(3)11(18-10)12(15)17-5-2/h6H,4-5,7H2,1-3H3,(H,13,14)
InChIKeyKBJIDSDCYGJCHX-UHFFFAOYSA-N
XLogP2.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[[2-[2-[(5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethoxy]acetyl]amino]-3-methylthiophene-2-carboxylate
CID 16832326
ethyl 5-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate
CID 8582351
ethyl 5-(methoxycarbonylamino)-3-methylthiophene-2-carboxylate
CID 43623989
ethyl 3-methyl-5-(3,3,3-trifluoropropanoylamino)thiophene-2-carboxylate
CID 43423510
ethyl 5-(hexanoylamino)-3-methylthiophene-2-carboxylate
CID 43403931
ethyl 5-[[2-(2-ethoxy-2-oxoethyl)sulfanylacetyl]amino]-3-methylthiophene-2-carboxylate
CID 24569681
ethyl 5-[[2-(2-chlorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate
CID 2670401
ethyl 5-[[2-(3-bromophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate
CID 7942305
[2-[(5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethyl] 4-bromo-1H-pyrrole-2-carboxylate
CID 18128411
ethyl 3-methyl-5-[[2-[4-(4-methylphenyl)-4-oxobutanoyl]oxyacetyl]amino]thiophene-2-carboxylate
CID 55465194
ethyl 3-methyl-5-[(2-phenylsulfanylacetyl)amino]thiophene-2-carboxylate
CID 7254718
ethyl 3-methyl-5-[[2-(2-phenylsulfanylpropanoyloxy)acetyl]amino]thiophene-2-carboxylate
CID 55467782

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-ethoxyacetyl)amino]-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-[(2-ethoxyacetyl)amino]-3-methylthiophene-2-carboxylate (CID 43422858) is ethyl 5-[(2-ethoxyacetyl)amino]-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-[(2-ethoxyacetyl)amino]-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-[(2-ethoxyacetyl)amino]-3-methylthiophene-2-carboxylate is CCOCC(=O)Nc1cc(C)c(C(=O)OCC)s1.
What is the InChIKey of ethyl 5-[(2-ethoxyacetyl)amino]-3-methylthiophene-2-carboxylate?
The InChIKey is KBJIDSDCYGJCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-4-16-7-9(14)13-10-6-8(3)11(18-10)12(15)17-5-2/h6H,4-5,7H2,1-3H3,(H,13,14).
What are the key properties of ethyl 5-[(2-ethoxyacetyl)amino]-3-methylthiophene-2-carboxylate?
ethyl 5-[(2-ethoxyacetyl)amino]-3-methylthiophene-2-carboxylate has a molecular weight of 271.34 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-ethoxyacetyl)amino]-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 43422858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).