3-methyl-N-[4-(3-thiophen-3-ylpropanoylamino)phenyl]butanamide

C18H22N2O2S — CID 33034707

IUPAC3-methyl-N-[4-(3-thiophen-3-ylpropanoylamino)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)CCc2ccsc2)cc1
InChIInChI=1S/C18H22N2O2S/c1-13(2)11-18(22)20-16-6-4-15(5-7-16)19-17(21)8-3-14-9-10-23-12-14/h4-7,9-10,12-13H,3,8,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyVUOOYVLBEQOECA-UHFFFAOYSA-N
MW330.45 g/mol
LogP4.30
Rot. Bonds7

About 3-methyl-N-[4-(3-thiophen-3-ylpropanoylamino)phenyl]butanamide

3-methyl-N-[4-(3-thiophen-3-ylpropanoylamino)phenyl]butanamide (PubChem CID 33034707) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 3-methyl-N-[4-(3-thiophen-3-ylpropanoylamino)phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-(3-thiophen-3-ylpropanoylamino)phenyl]butanamide
PubChem CID33034707
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name3-methyl-N-[4-(3-thiophen-3-ylpropanoylamino)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)CCc2ccsc2)cc1
InChIInChI=1S/C18H22N2O2S/c1-13(2)11-18(22)20-16-6-4-15(5-7-16)19-17(21)8-3-14-9-10-23-12-14/h4-7,9-10,12-13H,3,8,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyVUOOYVLBEQOECA-UHFFFAOYSA-N
XLogP4.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-[4-(3-thiophen-3-ylpropanoylamino)phenyl]butanamide 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-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-thiophen-3-ylpropanamide
CID 35365510
N-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]-3-methylbutanamide
CID 33025303
N-(4-hydroxyphenyl)-3-methylbutanamide
CID 836029
N-[4-[3-(3-fluorophenyl)propanoylamino]phenyl]-3-methylbutanamide
CID 33036873
N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-3-methylbutanamide
CID 54795255
3-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]butanamide
CID 54839278
2-(3-thiophen-3-ylpropanoylamino)propanoic acid
CID 115731118
[2-(4-acetamidoanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8611109
N-[(2S)-1-aminopropan-2-yl]-3-thiophen-3-ylpropanamide
CID 120507235
N-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropanamide
CID 47110779
3-methyl-2-(3-thiophen-3-ylpropanoylamino)butanoic acid
CID 119169875
N-[3-(methanesulfonamido)phenyl]-3-thiophen-3-ylpropanamide
CID 39206218

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(3-thiophen-3-ylpropanoylamino)phenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-(3-thiophen-3-ylpropanoylamino)phenyl]butanamide (CID 33034707) is 3-methyl-N-[4-(3-thiophen-3-ylpropanoylamino)phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-(3-thiophen-3-ylpropanoylamino)phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-(3-thiophen-3-ylpropanoylamino)phenyl]butanamide is CC(C)CC(=O)Nc1ccc(NC(=O)CCc2ccsc2)cc1.
What is the InChIKey of 3-methyl-N-[4-(3-thiophen-3-ylpropanoylamino)phenyl]butanamide?
The InChIKey is VUOOYVLBEQOECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-13(2)11-18(22)20-16-6-4-15(5-7-16)19-17(21)8-3-14-9-10-23-12-14/h4-7,9-10,12-13H,3,8,11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 3-methyl-N-[4-(3-thiophen-3-ylpropanoylamino)phenyl]butanamide?
3-methyl-N-[4-(3-thiophen-3-ylpropanoylamino)phenyl]butanamide has a molecular weight of 330.45 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(3-thiophen-3-ylpropanoylamino)phenyl]butanamide is sourced from PubChem (CID 33034707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).