2-thiophen-3-ylheptanamide

C11H17NOS — CID 3056600

IUPAC2-thiophen-3-ylheptanamide
SMILESCCCCCC(C(N)=O)c1ccsc1
InChIInChI=1S/C11H17NOS/c1-2-3-4-5-10(11(12)13)9-6-7-14-8-9/h6-8,10H,2-5H2,1H3,(H2,12,13)
InChIKeyRMJPPSBVWFXIFV-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.90
Rot. Bonds6

About 2-thiophen-3-ylheptanamide

2-thiophen-3-ylheptanamide (PubChem CID 3056600) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-thiophen-3-ylheptanamide.

Molecular Properties

Compound Name2-thiophen-3-ylheptanamide
PubChem CID3056600
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-thiophen-3-ylheptanamide
SMILESCCCCCC(C(N)=O)c1ccsc1
InChIInChI=1S/C11H17NOS/c1-2-3-4-5-10(11(12)13)9-6-7-14-8-9/h6-8,10H,2-5H2,1H3,(H2,12,13)
InChIKeyRMJPPSBVWFXIFV-UHFFFAOYSA-N
XLogP2.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-ylheptanamide?
The IUPAC name of 2-thiophen-3-ylheptanamide (CID 3056600) is 2-thiophen-3-ylheptanamide.
What is the SMILES notation for 2-thiophen-3-ylheptanamide?
The canonical SMILES for 2-thiophen-3-ylheptanamide is CCCCCC(C(N)=O)c1ccsc1.
What is the InChIKey of 2-thiophen-3-ylheptanamide?
The InChIKey is RMJPPSBVWFXIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-2-3-4-5-10(11(12)13)9-6-7-14-8-9/h6-8,10H,2-5H2,1H3,(H2,12,13).
What are the key properties of 2-thiophen-3-ylheptanamide?
2-thiophen-3-ylheptanamide has a molecular weight of 211.33 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-ylheptanamide is sourced from PubChem (CID 3056600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).