N-heptan-4-yl-3-thiophen-3-ylprop-2-enamide

C14H21NOS — CID 66772406

IUPACN-heptan-4-yl-3-thiophen-3-ylprop-2-enamide
SMILESCCCC(CCC)NC(=O)C=Cc1ccsc1
InChIInChI=1S/C14H21NOS/c1-3-5-13(6-4-2)15-14(16)8-7-12-9-10-17-11-12/h7-11,13H,3-6H2,1-2H3,(H,15,16)
InChIKeyVQSNKDCHGBOKQH-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.85
Rot. Bonds7

About N-heptan-4-yl-3-thiophen-3-ylprop-2-enamide

N-heptan-4-yl-3-thiophen-3-ylprop-2-enamide (PubChem CID 66772406) has the molecular formula C14H21NOS and a molecular weight of 251.40 g/mol. Its IUPAC name is N-heptan-4-yl-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound NameN-heptan-4-yl-3-thiophen-3-ylprop-2-enamide
PubChem CID66772406
Molecular FormulaC14H21NOS
Molecular Weight251.40 g/mol
Exact Mass251.13
IUPAC NameN-heptan-4-yl-3-thiophen-3-ylprop-2-enamide
SMILESCCCC(CCC)NC(=O)C=Cc1ccsc1
InChIInChI=1S/C14H21NOS/c1-3-5-13(6-4-2)15-14(16)8-7-12-9-10-17-11-12/h7-11,13H,3-6H2,1-2H3,(H,15,16)
InChIKeyVQSNKDCHGBOKQH-UHFFFAOYSA-N
XLogP3.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-heptan-4-yl-3-thiophen-3-ylprop-2-enamide 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 N-heptan-4-yl-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of N-heptan-4-yl-3-thiophen-3-ylprop-2-enamide (CID 66772406) is N-heptan-4-yl-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for N-heptan-4-yl-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for N-heptan-4-yl-3-thiophen-3-ylprop-2-enamide is CCCC(CCC)NC(=O)C=Cc1ccsc1.
What is the InChIKey of N-heptan-4-yl-3-thiophen-3-ylprop-2-enamide?
The InChIKey is VQSNKDCHGBOKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-3-5-13(6-4-2)15-14(16)8-7-12-9-10-17-11-12/h7-11,13H,3-6H2,1-2H3,(H,15,16).
What are the key properties of N-heptan-4-yl-3-thiophen-3-ylprop-2-enamide?
N-heptan-4-yl-3-thiophen-3-ylprop-2-enamide has a molecular weight of 251.40 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-4-yl-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 66772406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).