4-(2,5-dimethylthiophen-3-yl)-4-oxo-N,N-bis(prop-2-enyl)butanamide

C16H21NO2S — CID 78784549

IUPAC4-(2,5-dimethylthiophen-3-yl)-4-oxo-N,N-bis(prop-2-enyl)butanamide
SMILESC=CCN(CC=C)C(=O)CCC(=O)c1cc(C)sc1C
InChIInChI=1S/C16H21NO2S/c1-5-9-17(10-6-2)16(19)8-7-15(18)14-11-12(3)20-13(14)4/h5-6,11H,1-2,7-10H2,3-4H3
InChIKeyOSPCCWAVIQCVSU-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.53
Rot. Bonds8

About 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N,N-bis(prop-2-enyl)butanamide

4-(2,5-dimethylthiophen-3-yl)-4-oxo-N,N-bis(prop-2-enyl)butanamide (PubChem CID 78784549) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N,N-bis(prop-2-enyl)butanamide.

Molecular Properties

Compound Name4-(2,5-dimethylthiophen-3-yl)-4-oxo-N,N-bis(prop-2-enyl)butanamide
PubChem CID78784549
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name4-(2,5-dimethylthiophen-3-yl)-4-oxo-N,N-bis(prop-2-enyl)butanamide
SMILESC=CCN(CC=C)C(=O)CCC(=O)c1cc(C)sc1C
InChIInChI=1S/C16H21NO2S/c1-5-9-17(10-6-2)16(19)8-7-15(18)14-11-12(3)20-13(14)4/h5-6,11H,1-2,7-10H2,3-4H3
InChIKeyOSPCCWAVIQCVSU-UHFFFAOYSA-N
XLogP3.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N,N-bis(prop-2-enyl)butanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N,N-bis(prop-2-enyl)butanamide?
The IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N,N-bis(prop-2-enyl)butanamide (CID 78784549) is 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N,N-bis(prop-2-enyl)butanamide.
What is the SMILES notation for 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N,N-bis(prop-2-enyl)butanamide?
The canonical SMILES for 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N,N-bis(prop-2-enyl)butanamide is C=CCN(CC=C)C(=O)CCC(=O)c1cc(C)sc1C.
What is the InChIKey of 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N,N-bis(prop-2-enyl)butanamide?
The InChIKey is OSPCCWAVIQCVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-5-9-17(10-6-2)16(19)8-7-15(18)14-11-12(3)20-13(14)4/h5-6,11H,1-2,7-10H2,3-4H3.
What are the key properties of 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N,N-bis(prop-2-enyl)butanamide?
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N,N-bis(prop-2-enyl)butanamide has a molecular weight of 291.42 g/mol, XLogP of 3.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N,N-bis(prop-2-enyl)butanamide is sourced from PubChem (CID 78784549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).