N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide

C16H19F3N2O2S — CID 3153718

IUPACN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)C(F)(F)F)C(C(=O)NC1CCCC1)c1cccs1
InChIInChI=1S/C16H19F3N2O2S/c1-2-9-21(15(23)16(17,18)19)13(12-8-5-10-24-12)14(22)20-11-6-3-4-7-11/h2,5,8,10-11,13H,1,3-4,6-7,9H2,(H,20,22)
InChIKeyXRBSHNHKXNIKEK-UHFFFAOYSA-N
MW360.40 g/mol
LogP3.42
Rot. Bonds6

About N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide

N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide (PubChem CID 3153718) 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]-2,2,2-trifluoro-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide
PubChem CID3153718
Molecular FormulaC16H19F3N2O2S
Molecular Weight360.40 g/mol
Exact Mass360.11
IUPAC NameN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)C(F)(F)F)C(C(=O)NC1CCCC1)c1cccs1
InChIInChI=1S/C16H19F3N2O2S/c1-2-9-21(15(23)16(17,18)19)13(12-8-5-10-24-12)14(22)20-11-6-3-4-7-11/h2,5,8,10-11,13H,1,3-4,6-7,9H2,(H,20,22)
InChIKeyXRBSHNHKXNIKEK-UHFFFAOYSA-N
XLogP3.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide (CID 3153718) is N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide is C=CCN(C(=O)C(F)(F)F)C(C(=O)NC1CCCC1)c1cccs1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide?
The InChIKey is XRBSHNHKXNIKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O2S/c1-2-9-21(15(23)16(17,18)19)13(12-8-5-10-24-12)14(22)20-11-6-3-4-7-11/h2,5,8,10-11,13H,1,3-4,6-7,9H2,(H,20,22).
What are the key properties of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide?
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide has a molecular weight of 360.40 g/mol, XLogP of 3.42, 6 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]-2,2,2-trifluoro-N-prop-2-enylacetamide is sourced from PubChem (CID 3153718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).