N-[2-(cyclohexen-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide

C20H20F3NOS — CID 24720307

IUPACN-[2-(cyclohexen-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C20H20F3NOS/c21-20(22,23)16-8-4-7-15(13-16)17-9-10-18(26-17)19(25)24-12-11-14-5-2-1-3-6-14/h4-5,7-10,13H,1-3,6,11-12H2,(H,24,25)
InChIKeyHMKCLTQPHACYFO-UHFFFAOYSA-N
MW379.45 g/mol
LogP6.05
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide (PubChem CID 24720307) has the molecular formula C20H20F3NOS and a molecular weight of 379.45 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
PubChem CID24720307
Molecular FormulaC20H20F3NOS
Molecular Weight379.45 g/mol
Exact Mass379.12
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C20H20F3NOS/c21-20(22,23)16-8-4-7-15(13-16)17-9-10-18(26-17)19(25)24-12-11-14-5-2-1-3-6-14/h4-5,7-10,13H,1-3,6,11-12H2,(H,24,25)
InChIKeyHMKCLTQPHACYFO-UHFFFAOYSA-N
XLogP6.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.45
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109132859
5-bromo-N-[2-(cyclopenten-1-yl)ethyl]thiophene-2-carboxamide
CID 103842230
N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 69441277
2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 874393
N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188623
N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 146078119
N-[2-(cyclohexen-1-yl)ethyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4087808
N-[(2S)-6-methylheptan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 92760464
N-cyclohexyl-N-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 46082752
N-cyclohexyl-N-prop-2-enyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 46082788
N-(2,3-dihydro-1H-inden-1-yl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 46082792
N-[2-(4-hydroxyphenyl)ethyl]-5-phenylthiophene-2-carboxamide
CID 117089481

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide (CID 24720307) is N-[2-(cyclohexen-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide is O=C(NCCC1=CCCCC1)c1ccc(-c2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is HMKCLTQPHACYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NOS/c21-20(22,23)16-8-4-7-15(13-16)17-9-10-18(26-17)19(25)24-12-11-14-5-2-1-3-6-14/h4-5,7-10,13H,1-3,6,11-12H2,(H,24,25).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 379.45 g/mol, XLogP of 6.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 24720307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).