(2-anilino-2-oxoethyl) 5-methylthiophene-2-carboxylate

C14H13NO3S — CID 2503022

IUPAC(2-anilino-2-oxoethyl) 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)Nc2ccccc2)s1
InChIInChI=1S/C14H13NO3S/c1-10-7-8-12(19-10)14(17)18-9-13(16)15-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,15,16)
InChIKeyRPMQXQRURDJWLB-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.85
Rot. Bonds4

About (2-anilino-2-oxoethyl) 5-methylthiophene-2-carboxylate

(2-anilino-2-oxoethyl) 5-methylthiophene-2-carboxylate (PubChem CID 2503022) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 5-methylthiophene-2-carboxylate
PubChem CID2503022
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name(2-anilino-2-oxoethyl) 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)Nc2ccccc2)s1
InChIInChI=1S/C14H13NO3S/c1-10-7-8-12(19-10)14(17)18-9-13(16)15-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,15,16)
InChIKeyRPMQXQRURDJWLB-UHFFFAOYSA-N
XLogP2.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-anilino-2-oxoethyl) 5-methylthiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2,6-dimethylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2335919
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 9009066
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2700958
[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2715214
[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 9415076
[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 5-methylthiophene-2-carboxylate
CID 30407713
[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 32684656
[2-(ethoxycarbonylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2628097
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 7505442
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 7505403
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2502889
(2-anilino-2-oxoethyl) 4-ethyl-5-propylthiophene-2-carboxylate
CID 7651356

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 5-methylthiophene-2-carboxylate?
The IUPAC name of (2-anilino-2-oxoethyl) 5-methylthiophene-2-carboxylate (CID 2503022) is (2-anilino-2-oxoethyl) 5-methylthiophene-2-carboxylate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 5-methylthiophene-2-carboxylate?
The canonical SMILES for (2-anilino-2-oxoethyl) 5-methylthiophene-2-carboxylate is Cc1ccc(C(=O)OCC(=O)Nc2ccccc2)s1.
What is the InChIKey of (2-anilino-2-oxoethyl) 5-methylthiophene-2-carboxylate?
The InChIKey is RPMQXQRURDJWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-10-7-8-12(19-10)14(17)18-9-13(16)15-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,15,16).
What are the key properties of (2-anilino-2-oxoethyl) 5-methylthiophene-2-carboxylate?
(2-anilino-2-oxoethyl) 5-methylthiophene-2-carboxylate has a molecular weight of 275.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 5-methylthiophene-2-carboxylate is sourced from PubChem (CID 2503022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).