N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide

C23H27F3N2O4S — CID 3153717

IUPACN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide
SMILESCOc1ccc(CCN(C(=O)C(F)(F)F)C(C(=O)NC2CCCC2)c2cccs2)cc1OC
InChIInChI=1S/C23H27F3N2O4S/c1-31-17-10-9-15(14-18(17)32-2)11-12-28(22(30)23(24,25)26)20(19-8-5-13-33-19)21(29)27-16-6-3-4-7-16/h5,8-10,13-14,16,20H,3-4,6-7,11-12H2,1-2H3,(H,27,29)
InChIKeyTTZDYEQXKMUPGR-UHFFFAOYSA-N
MW484.54 g/mol
LogP4.50
Rot. Bonds9

About N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide

N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 3153717) has the molecular formula C23H27F3N2O4S and a molecular weight of 484.54 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide
PubChem CID3153717
Molecular FormulaC23H27F3N2O4S
Molecular Weight484.54 g/mol
Exact Mass484.16
IUPAC NameN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide
SMILESCOc1ccc(CCN(C(=O)C(F)(F)F)C(C(=O)NC2CCCC2)c2cccs2)cc1OC
InChIInChI=1S/C23H27F3N2O4S/c1-31-17-10-9-15(14-18(17)32-2)11-12-28(22(30)23(24,25)26)20(19-8-5-13-33-19)21(29)27-16-6-3-4-7-16/h5,8-10,13-14,16,20H,3-4,6-7,11-12H2,1-2H3,(H,27,29)
InChIKeyTTZDYEQXKMUPGR-UHFFFAOYSA-N
XLogP4.50
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.54
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 728907
N-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylacetamide
CID 6623334
Thiophene-2-acetamide, N-(3,4-dimethoxyphenethyl)-
CID 785974
N-(Cyclopentylcarbamoyl-thiophen-2-yl-methyl)-2,2,2-trifluoro-N-[2-(4-methoxy-phenyl)-ethyl]-acetamide
CID 3153715
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 1246974
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 2206758
Methyl 3-(3,4-dimethoxyphenyl)-3-[(2-thienylcarbonyl)amino]propanoate
CID 3382837
N-[1-(3,4-diethoxyphenyl)ethyl]-2-thiophenecarboxamide
CID 5013707
N-[1-(4-methoxyphenyl)ethyl]-2-(thiophen-2-yl)acetamide
CID 6466745
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-thienyl)acetamide
CID 2970888
N-(2-aminoethyl)-N-[[3-methoxy-4-(phenylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 11675630
N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl}thiophene-2-carboxamide
CID 4016701

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide (CID 3153717) is N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide is COc1ccc(CCN(C(=O)C(F)(F)F)C(C(=O)NC2CCCC2)c2cccs2)cc1OC.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is TTZDYEQXKMUPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N2O4S/c1-31-17-10-9-15(14-18(17)32-2)11-12-28(22(30)23(24,25)26)20(19-8-5-13-33-19)21(29)27-16-6-3-4-7-16/h5,8-10,13-14,16,20H,3-4,6-7,11-12H2,1-2H3,(H,27,29).
What are the key properties of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide?
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 484.54 g/mol, XLogP of 4.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 3153717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).