2-thiophen-2-ylhepta-2,4,6-trienamide

C11H11NOS — CID 154701942

IUPAC2-thiophen-2-ylhepta-2,4,6-trienamide
SMILESC=CC=CC=C(C(N)=O)c1cccs1
InChIInChI=1S/C11H11NOS/c1-2-3-4-6-9(11(12)13)10-7-5-8-14-10/h2-8H,1H2,(H2,12,13)
InChIKeyWTJVZSPBXMOTCI-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.36
Rot. Bonds4

About 2-thiophen-2-ylhepta-2,4,6-trienamide

2-thiophen-2-ylhepta-2,4,6-trienamide (PubChem CID 154701942) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-thiophen-2-ylhepta-2,4,6-trienamide.

Molecular Properties

Compound Name2-thiophen-2-ylhepta-2,4,6-trienamide
PubChem CID154701942
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name2-thiophen-2-ylhepta-2,4,6-trienamide
SMILESC=CC=CC=C(C(N)=O)c1cccs1
InChIInChI=1S/C11H11NOS/c1-2-3-4-6-9(11(12)13)10-7-5-8-14-10/h2-8H,1H2,(H2,12,13)
InChIKeyWTJVZSPBXMOTCI-UHFFFAOYSA-N
XLogP2.36
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylhepta-2,4,6-trienamide?
The IUPAC name of 2-thiophen-2-ylhepta-2,4,6-trienamide (CID 154701942) is 2-thiophen-2-ylhepta-2,4,6-trienamide.
What is the SMILES notation for 2-thiophen-2-ylhepta-2,4,6-trienamide?
The canonical SMILES for 2-thiophen-2-ylhepta-2,4,6-trienamide is C=CC=CC=C(C(N)=O)c1cccs1.
What is the InChIKey of 2-thiophen-2-ylhepta-2,4,6-trienamide?
The InChIKey is WTJVZSPBXMOTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-2-3-4-6-9(11(12)13)10-7-5-8-14-10/h2-8H,1H2,(H2,12,13).
What are the key properties of 2-thiophen-2-ylhepta-2,4,6-trienamide?
2-thiophen-2-ylhepta-2,4,6-trienamide has a molecular weight of 205.28 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylhepta-2,4,6-trienamide is sourced from PubChem (CID 154701942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).