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

C18H27FN2O2S — CID 44547684

IUPACN-cyclohexyl-2-[(2-fluoroacetyl)-(2-methylpropyl)amino]-2-thiophen-2-ylacetamide
SMILESCC(C)CN(C(=O)CF)C(C(=O)NC1CCCCC1)c1cccs1
InChIInChI=1S/C18H27FN2O2S/c1-13(2)12-21(16(22)11-19)17(15-9-6-10-24-15)18(23)20-14-7-4-3-5-8-14/h6,9-10,13-14,17H,3-5,7-8,11-12H2,1-2H3,(H,20,23)
InChIKeyXGNYCJYFJRTFOC-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.69
Rot. Bonds7

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

N-cyclohexyl-2-[(2-fluoroacetyl)-(2-methylpropyl)amino]-2-thiophen-2-ylacetamide (PubChem CID 44547684) has the molecular formula C18H27FN2O2S and a molecular weight of 354.49 g/mol. Its IUPAC name is N-cyclohexyl-2-[(2-fluoroacetyl)-(2-methylpropyl)amino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(2-fluoroacetyl)-(2-methylpropyl)amino]-2-thiophen-2-ylacetamide
PubChem CID44547684
Molecular FormulaC18H27FN2O2S
Molecular Weight354.49 g/mol
Exact Mass354.18
IUPAC NameN-cyclohexyl-2-[(2-fluoroacetyl)-(2-methylpropyl)amino]-2-thiophen-2-ylacetamide
SMILESCC(C)CN(C(=O)CF)C(C(=O)NC1CCCCC1)c1cccs1
InChIInChI=1S/C18H27FN2O2S/c1-13(2)12-21(16(22)11-19)17(15-9-6-10-24-15)18(23)20-14-7-4-3-5-8-14/h6,9-10,13-14,17H,3-5,7-8,11-12H2,1-2H3,(H,20,23)
InChIKeyXGNYCJYFJRTFOC-UHFFFAOYSA-N
XLogP3.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(2-fluoroacetyl)-(2-methylpropyl)amino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-cyclohexyl-2-[(2-fluoroacetyl)-(2-methylpropyl)amino]-2-thiophen-2-ylacetamide (CID 44547684) is N-cyclohexyl-2-[(2-fluoroacetyl)-(2-methylpropyl)amino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[(2-fluoroacetyl)-(2-methylpropyl)amino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-cyclohexyl-2-[(2-fluoroacetyl)-(2-methylpropyl)amino]-2-thiophen-2-ylacetamide is CC(C)CN(C(=O)CF)C(C(=O)NC1CCCCC1)c1cccs1.
What is the InChIKey of N-cyclohexyl-2-[(2-fluoroacetyl)-(2-methylpropyl)amino]-2-thiophen-2-ylacetamide?
The InChIKey is XGNYCJYFJRTFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2S/c1-13(2)12-21(16(22)11-19)17(15-9-6-10-24-15)18(23)20-14-7-4-3-5-8-14/h6,9-10,13-14,17H,3-5,7-8,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-cyclohexyl-2-[(2-fluoroacetyl)-(2-methylpropyl)amino]-2-thiophen-2-ylacetamide?
N-cyclohexyl-2-[(2-fluoroacetyl)-(2-methylpropyl)amino]-2-thiophen-2-ylacetamide has a molecular weight of 354.49 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(2-fluoroacetyl)-(2-methylpropyl)amino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 44547684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).