N-cyclohexyl-N-prop-2-enyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide

C21H22F3NOS — CID 46082788

IUPACN-cyclohexyl-N-prop-2-enyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESC=CCN(C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1)C1CCCCC1
InChIInChI=1S/C21H22F3NOS/c1-2-13-25(17-9-4-3-5-10-17)20(26)19-12-11-18(27-19)15-7-6-8-16(14-15)21(22,23)24/h2,6-8,11-12,14,17H,1,3-5,9-10,13H2
InChIKeySMWPGIZLKKGKCY-UHFFFAOYSA-N
MW393.47 g/mol
LogP6.39
Rot. Bonds5

About N-cyclohexyl-N-prop-2-enyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide

N-cyclohexyl-N-prop-2-enyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide (PubChem CID 46082788) has the molecular formula C21H22F3NOS and a molecular weight of 393.47 g/mol. Its IUPAC name is N-cyclohexyl-N-prop-2-enyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-prop-2-enyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
PubChem CID46082788
Molecular FormulaC21H22F3NOS
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC NameN-cyclohexyl-N-prop-2-enyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESC=CCN(C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1)C1CCCCC1
InChIInChI=1S/C21H22F3NOS/c1-2-13-25(17-9-4-3-5-10-17)20(26)19-12-11-18(27-19)15-7-6-8-16(14-15)21(22,23)24/h2,6-8,11-12,14,17H,1,3-5,9-10,13H2
InChIKeySMWPGIZLKKGKCY-UHFFFAOYSA-N
XLogP6.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.47
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-prop-2-enyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-cyclohexyl-N-prop-2-enyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide (CID 46082788) is N-cyclohexyl-N-prop-2-enyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-prop-2-enyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-cyclohexyl-N-prop-2-enyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide is C=CCN(C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-prop-2-enyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is SMWPGIZLKKGKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3NOS/c1-2-13-25(17-9-4-3-5-10-17)20(26)19-12-11-18(27-19)15-7-6-8-16(14-15)21(22,23)24/h2,6-8,11-12,14,17H,1,3-5,9-10,13H2.
What are the key properties of N-cyclohexyl-N-prop-2-enyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
N-cyclohexyl-N-prop-2-enyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 6.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-prop-2-enyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 46082788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).