ethyl 5-benzamido-3-methylthiophene-2-carboxylate

C15H15NO3S — CID 2078477

IUPACethyl 5-benzamido-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccccc2)cc1C
InChIInChI=1S/C15H15NO3S/c1-3-19-15(18)13-10(2)9-12(20-13)16-14(17)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyRLBHIGREWKWORS-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.49
Rot. Bonds4

About ethyl 5-benzamido-3-methylthiophene-2-carboxylate

ethyl 5-benzamido-3-methylthiophene-2-carboxylate (PubChem CID 2078477) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is ethyl 5-benzamido-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-benzamido-3-methylthiophene-2-carboxylate
PubChem CID2078477
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Nameethyl 5-benzamido-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccccc2)cc1C
InChIInChI=1S/C15H15NO3S/c1-3-19-15(18)13-10(2)9-12(20-13)16-14(17)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyRLBHIGREWKWORS-UHFFFAOYSA-N
XLogP3.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-amino-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
CID 698230
Ethyl 4-[(thiophen-2-ylacetyl)amino]benzoate
CID 779619
methyl 5-[(N-methyl-C-phenylcarbonimidoyl)amino]thiophene-2-carboxylate
CID 4079675
Methyl 3-acetamido-5-phenylthiophene-2-carboxylate
CID 4114774
Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-((1-oxo-3-phenyl-2-propenyl)amino)-,ethyl ester
CID 1098719
Ethyl 3-methyl-5-[(phenylcarbamoyl)amino]thiophene-2-carboxylate
CID 2359669
Methyl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate
CID 841141
methyl 2-(acetylamino)-4-methyl-5-(N-phenylcarbamoyl)thiophene-3-carboxylate
CID 846267
Methyl 2-(3-phenylpropanamido)thiophene-3-carboxylate
CID 3332875
Ethyl 5'-(acetylamino)-2,3'-bithiophene-4'-carboxylate
CID 759955
Propyl 4-{[3-(2-thienyl)acryloyl]amino}benzoate
CID 2166331
Ethyl 5-(aminocarbonyl)-4-methyl-2-{[phenyl(phenylthio)acetyl]amino}-3-thiophenecarboxylate
CID 2933309

Frequently Asked Questions

What is the IUPAC name of ethyl 5-benzamido-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-benzamido-3-methylthiophene-2-carboxylate (CID 2078477) is ethyl 5-benzamido-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-benzamido-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-benzamido-3-methylthiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccccc2)cc1C.
What is the InChIKey of ethyl 5-benzamido-3-methylthiophene-2-carboxylate?
The InChIKey is RLBHIGREWKWORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-3-19-15(18)13-10(2)9-12(20-13)16-14(17)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,16,17).
What are the key properties of ethyl 5-benzamido-3-methylthiophene-2-carboxylate?
ethyl 5-benzamido-3-methylthiophene-2-carboxylate has a molecular weight of 289.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-benzamido-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 2078477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).