N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(2-methylpropyl)acetamide

C17H23F3N2O2S — CID 3153735

IUPACN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C(=O)C(F)(F)F)C(C(=O)NC1CCCC1)c1cccs1
InChIInChI=1S/C17H23F3N2O2S/c1-11(2)10-22(16(24)17(18,19)20)14(13-8-5-9-25-13)15(23)21-12-6-3-4-7-12/h5,8-9,11-12,14H,3-4,6-7,10H2,1-2H3,(H,21,23)
InChIKeyPZMOFVYKMJCTIH-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.89
Rot. Bonds6

About N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(2-methylpropyl)acetamide

N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(2-methylpropyl)acetamide (PubChem CID 3153735) has the molecular formula C17H23F3N2O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(2-methylpropyl)acetamide
PubChem CID3153735
Molecular FormulaC17H23F3N2O2S
Molecular Weight376.44 g/mol
Exact Mass376.14
IUPAC NameN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C(=O)C(F)(F)F)C(C(=O)NC1CCCC1)c1cccs1
InChIInChI=1S/C17H23F3N2O2S/c1-11(2)10-22(16(24)17(18,19)20)14(13-8-5-9-25-13)15(23)21-12-6-3-4-7-12/h5,8-9,11-12,14H,3-4,6-7,10H2,1-2H3,(H,21,23)
InChIKeyPZMOFVYKMJCTIH-UHFFFAOYSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(2-methylpropyl)acetamide with MolForge

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Related Compounds

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Proline scaffold, 32
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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-(2-methylpropyl)acetamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(2-methylpropyl)acetamide (CID 3153735) is N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(2-methylpropyl)acetamide is CC(C)CN(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-(2-methylpropyl)acetamide?
The InChIKey is PZMOFVYKMJCTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2S/c1-11(2)10-22(16(24)17(18,19)20)14(13-8-5-9-25-13)15(23)21-12-6-3-4-7-12/h5,8-9,11-12,14H,3-4,6-7,10H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(2-methylpropyl)acetamide?
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(2-methylpropyl)acetamide has a molecular weight of 376.44 g/mol, XLogP of 3.89, 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-(2-methylpropyl)acetamide is sourced from PubChem (CID 3153735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).