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

C21H23F3N2O3S — CID 1083920

IUPACN-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-ethoxyphenyl)-2,2,2-trifluoroacetamide
SMILESCCOc1ccccc1N(C(=O)C(F)(F)F)[C@H](C(=O)NC1CCCC1)c1cccs1
InChIInChI=1S/C21H23F3N2O3S/c1-2-29-16-11-6-5-10-15(16)26(20(28)21(22,23)24)18(17-12-7-13-30-17)19(27)25-14-8-3-4-9-14/h5-7,10-14,18H,2-4,8-9H2,1H3,(H,25,27)/t18-/m0/s1
InChIKeyPGTVLDKLTDTAOI-SFHVURJKSA-N
MW440.49 g/mol
LogP4.84
Rot. Bonds7

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

N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-ethoxyphenyl)-2,2,2-trifluoroacetamide (PubChem CID 1083920) has the molecular formula C21H23F3N2O3S and a molecular weight of 440.49 g/mol. Its IUPAC name is N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-ethoxyphenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-ethoxyphenyl)-2,2,2-trifluoroacetamide
PubChem CID1083920
Molecular FormulaC21H23F3N2O3S
Molecular Weight440.49 g/mol
Exact Mass440.14
IUPAC NameN-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-ethoxyphenyl)-2,2,2-trifluoroacetamide
SMILESCCOc1ccccc1N(C(=O)C(F)(F)F)[C@H](C(=O)NC1CCCC1)c1cccs1
InChIInChI=1S/C21H23F3N2O3S/c1-2-29-16-11-6-5-10-15(16)26(20(28)21(22,23)24)18(17-12-7-13-30-17)19(27)25-14-8-3-4-9-14/h5-7,10-14,18H,2-4,8-9H2,1H3,(H,25,27)/t18-/m0/s1
InChIKeyPGTVLDKLTDTAOI-SFHVURJKSA-N
XLogP4.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-ethoxyphenyl)-2,2,2-trifluoroacetamide
CID 1458369
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2,4-dimethoxyphenyl)-2,2,2-trifluoroacetamide
CID 1083939
4-amino-5-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-5-N-(2-ethoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 40631738
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-ethylphenyl)-2,2,2-trifluoroacetamide
CID 1458435
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(4-methylphenyl)acetamide
CID 3216369
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1083904
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)acetamide
CID 3216374
N-[4-[(2S)-butan-2-yl]phenyl]-N-[(1S)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoroacetamide
CID 1083780
N-benzyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoroacetamide
CID 1083856
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(3-fluoro-4-methylphenyl)acetamide
CID 1083909
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
CID 1083930
N-cyclopentyl-2-(2-ethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202650

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-ethoxyphenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-ethoxyphenyl)-2,2,2-trifluoroacetamide (CID 1083920) is N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-ethoxyphenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-ethoxyphenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-ethoxyphenyl)-2,2,2-trifluoroacetamide is CCOc1ccccc1N(C(=O)C(F)(F)F)[C@H](C(=O)NC1CCCC1)c1cccs1.
What is the InChIKey of N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-ethoxyphenyl)-2,2,2-trifluoroacetamide?
The InChIKey is PGTVLDKLTDTAOI-SFHVURJKSA-N. The full InChI is InChI=1S/C21H23F3N2O3S/c1-2-29-16-11-6-5-10-15(16)26(20(28)21(22,23)24)18(17-12-7-13-30-17)19(27)25-14-8-3-4-9-14/h5-7,10-14,18H,2-4,8-9H2,1H3,(H,25,27)/t18-/m0/s1.
What are the key properties of N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-ethoxyphenyl)-2,2,2-trifluoroacetamide?
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-ethoxyphenyl)-2,2,2-trifluoroacetamide has a molecular weight of 440.49 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-ethoxyphenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 1083920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).