4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-thiophen-2-ylbutanamide

C19H22N2O3S — CID 27782894

IUPAC4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-thiophen-2-ylbutanamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)CCC(=O)c2cccs2)c(C)c1
InChIInChI=1S/C19H22N2O3S/c1-12-9-13(2)19(14(3)10-12)21-18(24)11-20-17(23)7-6-15(22)16-5-4-8-25-16/h4-5,8-10H,6-7,11H2,1-3H3,(H,20,23)(H,21,24)
InChIKeySCPTXIZYLNCJLE-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.39
Rot. Bonds7

About 4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-thiophen-2-ylbutanamide

4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-thiophen-2-ylbutanamide (PubChem CID 27782894) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound Name4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-thiophen-2-ylbutanamide
PubChem CID27782894
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-thiophen-2-ylbutanamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)CCC(=O)c2cccs2)c(C)c1
InChIInChI=1S/C19H22N2O3S/c1-12-9-13(2)19(14(3)10-12)21-18(24)11-20-17(23)7-6-15(22)16-5-4-8-25-16/h4-5,8-10H,6-7,11H2,1-3H3,(H,20,23)(H,21,24)
InChIKeySCPTXIZYLNCJLE-UHFFFAOYSA-N
XLogP3.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-thiophen-2-ylbutanamide 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

N-(2,4-dimethylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 9342786
3-amino-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide;hydrochloride
CID 119269153
N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 954394
N-[(2-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9104484
N-[(3-fluoro-4-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 34314674
N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108807760
4-oxo-4-phenyl-N-(2,4,6-trimethylphenyl)butanamide
CID 78776242
N-[3-(2-fluoro-5-methylanilino)-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9455258
N-(2,2-dimethoxyethyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 108796357
methyl 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]butanoate
CID 108807722
1-thiophen-2-yl-4-(2,4,6-trimethylphenoxy)butan-1-one
CID 63567770
[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(thiophene-2-carbonylamino)acetate
CID 7808058

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of 4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-thiophen-2-ylbutanamide (CID 27782894) is 4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for 4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for 4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-thiophen-2-ylbutanamide is Cc1cc(C)c(NC(=O)CNC(=O)CCC(=O)c2cccs2)c(C)c1.
What is the InChIKey of 4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-thiophen-2-ylbutanamide?
The InChIKey is SCPTXIZYLNCJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-12-9-13(2)19(14(3)10-12)21-18(24)11-20-17(23)7-6-15(22)16-5-4-8-25-16/h4-5,8-10H,6-7,11H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-thiophen-2-ylbutanamide?
4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-thiophen-2-ylbutanamide has a molecular weight of 358.46 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 27782894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).