2-[(2-fluoroacetyl)-(2-methylpropyl)amino]-N-hexyl-2-thiophen-2-ylacetamide

C18H29FN2O2S — CID 67199163

IUPAC2-[(2-fluoroacetyl)-(2-methylpropyl)amino]-N-hexyl-2-thiophen-2-ylacetamide
SMILESCCCCCCNC(=O)C(c1cccs1)N(CC(C)C)C(=O)CF
InChIInChI=1S/C18H29FN2O2S/c1-4-5-6-7-10-20-18(23)17(15-9-8-11-24-15)21(13-14(2)3)16(22)12-19/h8-9,11,14,17H,4-7,10,12-13H2,1-3H3,(H,20,23)
InChIKeyYMQDQPCODDERMC-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.94
Rot. Bonds11

About 2-[(2-fluoroacetyl)-(2-methylpropyl)amino]-N-hexyl-2-thiophen-2-ylacetamide

2-[(2-fluoroacetyl)-(2-methylpropyl)amino]-N-hexyl-2-thiophen-2-ylacetamide (PubChem CID 67199163) has the molecular formula C18H29FN2O2S and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-[(2-fluoroacetyl)-(2-methylpropyl)amino]-N-hexyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-[(2-fluoroacetyl)-(2-methylpropyl)amino]-N-hexyl-2-thiophen-2-ylacetamide
PubChem CID67199163
Molecular FormulaC18H29FN2O2S
Molecular Weight356.51 g/mol
Exact Mass356.19
IUPAC Name2-[(2-fluoroacetyl)-(2-methylpropyl)amino]-N-hexyl-2-thiophen-2-ylacetamide
SMILESCCCCCCNC(=O)C(c1cccs1)N(CC(C)C)C(=O)CF
InChIInChI=1S/C18H29FN2O2S/c1-4-5-6-7-10-20-18(23)17(15-9-8-11-24-15)21(13-14(2)3)16(22)12-19/h8-9,11,14,17H,4-7,10,12-13H2,1-3H3,(H,20,23)
InChIKeyYMQDQPCODDERMC-UHFFFAOYSA-N
XLogP3.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(2-fluoroacetyl)-(2-methylpropyl)amino]-N-hexyl-2-thiophen-2-ylacetamide?
The IUPAC name of 2-[(2-fluoroacetyl)-(2-methylpropyl)amino]-N-hexyl-2-thiophen-2-ylacetamide (CID 67199163) is 2-[(2-fluoroacetyl)-(2-methylpropyl)amino]-N-hexyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-[(2-fluoroacetyl)-(2-methylpropyl)amino]-N-hexyl-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-[(2-fluoroacetyl)-(2-methylpropyl)amino]-N-hexyl-2-thiophen-2-ylacetamide is CCCCCCNC(=O)C(c1cccs1)N(CC(C)C)C(=O)CF.
What is the InChIKey of 2-[(2-fluoroacetyl)-(2-methylpropyl)amino]-N-hexyl-2-thiophen-2-ylacetamide?
The InChIKey is YMQDQPCODDERMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2O2S/c1-4-5-6-7-10-20-18(23)17(15-9-8-11-24-15)21(13-14(2)3)16(22)12-19/h8-9,11,14,17H,4-7,10,12-13H2,1-3H3,(H,20,23).
What are the key properties of 2-[(2-fluoroacetyl)-(2-methylpropyl)amino]-N-hexyl-2-thiophen-2-ylacetamide?
2-[(2-fluoroacetyl)-(2-methylpropyl)amino]-N-hexyl-2-thiophen-2-ylacetamide has a molecular weight of 356.51 g/mol, XLogP of 3.94, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoroacetyl)-(2-methylpropyl)amino]-N-hexyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 67199163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).