ethyl 5-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate

C14H15NO3S2 — CID 17173072

IUPACethyl 5-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NC(=O)Cc1cccs1
InChIInChI=1S/C14H15NO3S2/c1-3-18-14(17)11-7-9(2)20-13(11)15-12(16)8-10-5-4-6-19-10/h4-7H,3,8H2,1-2H3,(H,15,16)
InChIKeyZPOZUNKJEXZQPP-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.48
Rot. Bonds5

About ethyl 5-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate

ethyl 5-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate (PubChem CID 17173072) has the molecular formula C14H15NO3S2 and a molecular weight of 309.41 g/mol. Its IUPAC name is ethyl 5-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate
PubChem CID17173072
Molecular FormulaC14H15NO3S2
Molecular Weight309.41 g/mol
Exact Mass309.05
IUPAC Nameethyl 5-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NC(=O)Cc1cccs1
InChIInChI=1S/C14H15NO3S2/c1-3-18-14(17)11-7-9(2)20-13(11)15-12(16)8-10-5-4-6-19-10/h4-7H,3,8H2,1-2H3,(H,15,16)
InChIKeyZPOZUNKJEXZQPP-UHFFFAOYSA-N
XLogP3.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate
CID 63619076
4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid
CID 831651
ethyl 2-methyl-4-[(2-thiophen-2-ylacetyl)amino]-1H-pyrrole-3-carboxylate
CID 82880240
ethyl 4-cyano-3-methyl-5-[(2-thiophen-2-ylacetyl)amino]thiophene-2-carboxylate
CID 41340120
6-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-6-oxohexanoic acid
CID 63618723
ethyl 5-methyl-2-[[2-(1-methyltetrazol-5-yl)acetyl]amino]thiophene-3-carboxylate
CID 110503199
2-[2-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569937
ethyl 2-[(2-amino-2-methylpropanoyl)amino]-5-methylthiophene-3-carboxylate
CID 63618036
ethyl 2-[(2-fluorobenzoyl)amino]-5-methylthiophene-3-carboxylate
CID 759964
ethyl 2-[(5-ethylthiophene-2-carbonyl)amino]-5-methylthiophene-3-carboxylate
CID 60794403
ethyl 5-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-3-carboxylate
CID 122157163
ethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate
CID 4632592

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate (CID 17173072) is ethyl 5-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate is CCOC(=O)c1cc(C)sc1NC(=O)Cc1cccs1.
What is the InChIKey of ethyl 5-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate?
The InChIKey is ZPOZUNKJEXZQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S2/c1-3-18-14(17)11-7-9(2)20-13(11)15-12(16)8-10-5-4-6-19-10/h4-7H,3,8H2,1-2H3,(H,15,16).
What are the key properties of ethyl 5-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate?
ethyl 5-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate has a molecular weight of 309.41 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 17173072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).