N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide

C16H19F3N2O2S — CID 3216620

IUPACN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide
SMILESO=C(NC1CCCC1)C(c1cccs1)N(C(=O)C(F)(F)F)C1CC1
InChIInChI=1S/C16H19F3N2O2S/c17-16(18,19)15(23)21(11-7-8-11)13(12-6-3-9-24-12)14(22)20-10-4-1-2-5-10/h3,6,9-11,13H,1-2,4-5,7-8H2,(H,20,22)
InChIKeyLLVWLOGHJGMSHE-UHFFFAOYSA-N
MW360.40 g/mol
LogP3.40
Rot. Bonds5

About N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide

N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide (PubChem CID 3216620) has the molecular formula C16H19F3N2O2S and a molecular weight of 360.40 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide
PubChem CID3216620
Molecular FormulaC16H19F3N2O2S
Molecular Weight360.40 g/mol
Exact Mass360.11
IUPAC NameN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide
SMILESO=C(NC1CCCC1)C(c1cccs1)N(C(=O)C(F)(F)F)C1CC1
InChIInChI=1S/C16H19F3N2O2S/c17-16(18,19)15(23)21(11-7-8-11)13(12-6-3-9-24-12)14(22)20-10-4-1-2-5-10/h3,6,9-11,13H,1-2,4-5,7-8H2,(H,20,22)
InChIKeyLLVWLOGHJGMSHE-UHFFFAOYSA-N
XLogP3.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide (CID 3216620) is N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide is O=C(NC1CCCC1)C(c1cccs1)N(C(=O)C(F)(F)F)C1CC1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide?
The InChIKey is LLVWLOGHJGMSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O2S/c17-16(18,19)15(23)21(11-7-8-11)13(12-6-3-9-24-12)14(22)20-10-4-1-2-5-10/h3,6,9-11,13H,1-2,4-5,7-8H2,(H,20,22).
What are the key properties of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide?
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide has a molecular weight of 360.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide is sourced from PubChem (CID 3216620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).