[2-(3-methoxyanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate

C15H15NO4S — CID 2352927

IUPAC[2-(3-methoxyanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
SMILESCOc1cccc(NC(=O)COC(=O)c2sccc2C)c1
InChIInChI=1S/C15H15NO4S/c1-10-6-7-21-14(10)15(18)20-9-13(17)16-11-4-3-5-12(8-11)19-2/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyGCTPMTIBWOTHOI-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.86
Rot. Bonds5

About [2-(3-methoxyanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate

[2-(3-methoxyanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate (PubChem CID 2352927) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
PubChem CID2352927
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name[2-(3-methoxyanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
SMILESCOc1cccc(NC(=O)COC(=O)c2sccc2C)c1
InChIInChI=1S/C15H15NO4S/c1-10-6-7-21-14(10)15(18)20-9-13(17)16-11-4-3-5-12(8-11)19-2/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyGCTPMTIBWOTHOI-UHFFFAOYSA-N
XLogP2.86
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 790310
N-(2-Ethoxyphenyl)-4,5-dimethyl-3-thiophenecarboxamide
CID 1245175
N-(3,4-dimethoxyphenyl)-5-methylthiophene-3-carboxamide
CID 1247262
Methyl 3-{[(3-methylphenoxy)acetyl]amino}-2-thiophenecarboxylate
CID 1266472
[2-(2-methoxyanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2342860
[(3-Fluorophenyl)carbamoyl]methyl 3-methylthiophene-2-carboxylate
CID 2502269
N-(2-methoxyphenyl)-2-thiophen-3-ylacetamide
CID 16234675
N-(3-ethoxyphenyl)-2-(2-thienyl)acetamide
CID 898929
N-(2-methoxyphenyl)thiophene-2-carboxamide
CID 764595
N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylacetamide
CID 531788
Ethyl 2-amino-5-[(3-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 714560
Ethyl 2-amino-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 709464

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate (CID 2352927) is [2-(3-methoxyanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-(3-methoxyanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The canonical SMILES for [2-(3-methoxyanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate is COc1cccc(NC(=O)COC(=O)c2sccc2C)c1.
What is the InChIKey of [2-(3-methoxyanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The InChIKey is GCTPMTIBWOTHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-10-6-7-21-14(10)15(18)20-9-13(17)16-11-4-3-5-12(8-11)19-2/h3-8H,9H2,1-2H3,(H,16,17).
What are the key properties of [2-(3-methoxyanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
[2-(3-methoxyanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate has a molecular weight of 305.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate is sourced from PubChem (CID 2352927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).