[2-(N-methylanilino)-2-oxoethyl] thiophene-2-carboxylate

C14H13NO3S — CID 2432569

IUPAC[2-(N-methylanilino)-2-oxoethyl] thiophene-2-carboxylate
SMILESCN(C(=O)COC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C14H13NO3S/c1-15(11-6-3-2-4-7-11)13(16)10-18-14(17)12-8-5-9-19-12/h2-9H,10H2,1H3
InChIKeyNVDNDXOEGCRZNT-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.57
Rot. Bonds4

About [2-(N-methylanilino)-2-oxoethyl] thiophene-2-carboxylate

[2-(N-methylanilino)-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 2432569) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is [2-(N-methylanilino)-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(N-methylanilino)-2-oxoethyl] thiophene-2-carboxylate
PubChem CID2432569
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name[2-(N-methylanilino)-2-oxoethyl] thiophene-2-carboxylate
SMILESCN(C(=O)COC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C14H13NO3S/c1-15(11-6-3-2-4-7-11)13(16)10-18-14(17)12-8-5-9-19-12/h2-9H,10H2,1H3
InChIKeyNVDNDXOEGCRZNT-UHFFFAOYSA-N
XLogP2.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(N-methylanilino)-2-oxoethyl] thiophene-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

[(3-Fluorophenyl)carbamoyl]methyl 3-methylthiophene-2-carboxylate
CID 2502269
[2-(3-Chloroanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 1679565
2-[[4-(Acetylamino)phenyl]amino]-2-oxoethyl 5-methyl-2-thiophenecarboxylate
CID 2378830
[2-[4-[Ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] thiophene-2-carboxylate
CID 2413185
[2-(N-methylanilino)-2-oxoethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 2668983
[1-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 4606346
CID 11834431
CID 11834431
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 16320944
Thiophene-2-carboxylic acid (4-ethyl-phenylcarbamoyl)-methyl ester
CID 724429
Thiophene-2-carboxylic acid (2,3-dimethyl-phenylcarbamoyl)-methyl ester
CID 724449
[2-(2-Chloroanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 724478
Thiophene-2-carboxylic acid (2-ethyl-phenylcarbamoyl)-methyl ester
CID 724994

Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-(N-methylanilino)-2-oxoethyl] thiophene-2-carboxylate (CID 2432569) is [2-(N-methylanilino)-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-(N-methylanilino)-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-(N-methylanilino)-2-oxoethyl] thiophene-2-carboxylate is CN(C(=O)COC(=O)c1cccs1)c1ccccc1.
What is the InChIKey of [2-(N-methylanilino)-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is NVDNDXOEGCRZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-15(11-6-3-2-4-7-11)13(16)10-18-14(17)12-8-5-9-19-12/h2-9H,10H2,1H3.
What are the key properties of [2-(N-methylanilino)-2-oxoethyl] thiophene-2-carboxylate?
[2-(N-methylanilino)-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 275.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 2432569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).