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

C18H23F3N2O3S — CID 3153720

IUPACN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(NC1CCCC1)C(c1cccs1)N(CC1CCCO1)C(=O)C(F)(F)F
InChIInChI=1S/C18H23F3N2O3S/c19-18(20,21)17(25)23(11-13-7-3-9-26-13)15(14-8-4-10-27-14)16(24)22-12-5-1-2-6-12/h4,8,10,12-13,15H,1-3,5-7,9,11H2,(H,22,24)
InChIKeyNRGCIQYVBNHYKQ-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.42
Rot. Bonds6

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

N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3153720) has the molecular formula C18H23F3N2O3S and a molecular weight of 404.45 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3153720
Molecular FormulaC18H23F3N2O3S
Molecular Weight404.45 g/mol
Exact Mass404.14
IUPAC NameN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(NC1CCCC1)C(c1cccs1)N(CC1CCCO1)C(=O)C(F)(F)F
InChIInChI=1S/C18H23F3N2O3S/c19-18(20,21)17(25)23(11-13-7-3-9-26-13)15(14-8-4-10-27-14)16(24)22-12-5-1-2-6-12/h4,8,10,12-13,15H,1-3,5-7,9,11H2,(H,22,24)
InChIKeyNRGCIQYVBNHYKQ-UHFFFAOYSA-N
XLogP3.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[2-oxolanylmethyl-(1-oxo-2-thiophen-2-ylethyl)amino]-2-thiophen-2-ylacetamide
CID 647779
N-cyclopentyl-N'-(2-fluorophenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)-1-thiophen-2-ylethyl]oxamide
CID 3219985
N-cyclopentyl-1-[(tetrahydrofuran-2-ylmethyl)(thiophen-2-ylacetyl)amino]cyclohexanecarboxamide
CID 3964655
N-cyclohexyl-N~2~-(tetrahydrofuran-2-ylmethyl)-N~2~-(thiophen-2-ylacetyl)isovalinamide
CID 4233826
N-(oxolan-2-ylmethyl)-N'-(thiophen-2-ylmethyl)oxamide
CID 2931908
2-methyl-5-oxo-N-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 122174759
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
CID 3153651
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide
CID 3153718
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(2-methylpropyl)acetamide
CID 3153735
N-cyclopentyl-2-(4-fluorophenyl)-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3202757
N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
CID 3216446
N-Cyclohexyl-2-[N-(3-ethoxypropyl)-2,2,2-trifluoroacetamido]-2-(thiophen-2-YL)acetamide
CID 3216563

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide (CID 3153720) is N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide is O=C(NC1CCCC1)C(c1cccs1)N(CC1CCCO1)C(=O)C(F)(F)F.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is NRGCIQYVBNHYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O3S/c19-18(20,21)17(25)23(11-13-7-3-9-26-13)15(14-8-4-10-27-14)16(24)22-12-5-1-2-6-12/h4,8,10,12-13,15H,1-3,5-7,9,11H2,(H,22,24).
What are the key properties of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide?
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 404.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 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-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3153720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).