N-ethyl-N-heptyl-2-thiophen-2-ylacetamide

C15H25NOS — CID 91693586

IUPACN-ethyl-N-heptyl-2-thiophen-2-ylacetamide
SMILESCCCCCCCN(CC)C(=O)Cc1cccs1
InChIInChI=1S/C15H25NOS/c1-3-5-6-7-8-11-16(4-2)15(17)13-14-10-9-12-18-14/h9-10,12H,3-8,11,13H2,1-2H3
InChIKeyXQCPMKXDWIANSY-UHFFFAOYSA-N
MW267.44 g/mol
LogP4.11
Rot. Bonds9

About N-ethyl-N-heptyl-2-thiophen-2-ylacetamide

N-ethyl-N-heptyl-2-thiophen-2-ylacetamide (PubChem CID 91693586) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N-ethyl-N-heptyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-ethyl-N-heptyl-2-thiophen-2-ylacetamide
PubChem CID91693586
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN-ethyl-N-heptyl-2-thiophen-2-ylacetamide
SMILESCCCCCCCN(CC)C(=O)Cc1cccs1
InChIInChI=1S/C15H25NOS/c1-3-5-6-7-8-11-16(4-2)15(17)13-14-10-9-12-18-14/h9-10,12H,3-8,11,13H2,1-2H3
InChIKeyXQCPMKXDWIANSY-UHFFFAOYSA-N
XLogP4.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 54.11
H-Bond Donors ≤ 50
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 N-ethyl-N-heptyl-2-thiophen-2-ylacetamide?
The IUPAC name of N-ethyl-N-heptyl-2-thiophen-2-ylacetamide (CID 91693586) is N-ethyl-N-heptyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-ethyl-N-heptyl-2-thiophen-2-ylacetamide?
The canonical SMILES for N-ethyl-N-heptyl-2-thiophen-2-ylacetamide is CCCCCCCN(CC)C(=O)Cc1cccs1.
What is the InChIKey of N-ethyl-N-heptyl-2-thiophen-2-ylacetamide?
The InChIKey is XQCPMKXDWIANSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-3-5-6-7-8-11-16(4-2)15(17)13-14-10-9-12-18-14/h9-10,12H,3-8,11,13H2,1-2H3.
What are the key properties of N-ethyl-N-heptyl-2-thiophen-2-ylacetamide?
N-ethyl-N-heptyl-2-thiophen-2-ylacetamide has a molecular weight of 267.44 g/mol, XLogP of 4.11, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-heptyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 91693586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).