[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate

C20H22N2O4S — CID 7847533

IUPAC[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate
SMILESCCc1cc(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)sc1C
InChIInChI=1S/C20H22N2O4S/c1-3-13-10-17(27-12(13)2)20(25)26-11-18(23)22-16-7-5-4-6-15(16)19(24)21-14-8-9-14/h4-7,10,14H,3,8-9,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyTVSMSPZIJIQCHW-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.31
Rot. Bonds7

About [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate

[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate (PubChem CID 7847533) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate
PubChem CID7847533
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate
SMILESCCc1cc(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)sc1C
InChIInChI=1S/C20H22N2O4S/c1-3-13-10-17(27-12(13)2)20(25)26-11-18(23)22-16-7-5-4-6-15(16)19(24)21-14-8-9-14/h4-7,10,14H,3,8-9,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyTVSMSPZIJIQCHW-UHFFFAOYSA-N
XLogP3.31
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-ethyl-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-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8878545
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 8535606
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate
CID 8913060
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7725538
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 16519219
N-cyclopropyl-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
CID 26906049
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7587081
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8664244
trans-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 8020791
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8549755
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-nitrobenzoate
CID 9454767
[2-(2,6-dichloroanilino)-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate
CID 7847473

Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate?
The IUPAC name of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate (CID 7847533) is [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate?
The canonical SMILES for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate is CCc1cc(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)sc1C.
What is the InChIKey of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate?
The InChIKey is TVSMSPZIJIQCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-3-13-10-17(27-12(13)2)20(25)26-11-18(23)22-16-7-5-4-6-15(16)19(24)21-14-8-9-14/h4-7,10,14H,3,8-9,11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate?
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate has a molecular weight of 386.47 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate is sourced from PubChem (CID 7847533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).