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

C20H22F3NOS — CID 46082752

IUPACN-cyclohexyl-N-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESCCN(C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1)C1CCCCC1
InChIInChI=1S/C20H22F3NOS/c1-2-24(16-9-4-3-5-10-16)19(25)18-12-11-17(26-18)14-7-6-8-15(13-14)20(21,22)23/h6-8,11-13,16H,2-5,9-10H2,1H3
InChIKeyMRRNGQUXJYUZOH-UHFFFAOYSA-N
MW381.46 g/mol
LogP6.23
Rot. Bonds4

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

N-cyclohexyl-N-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide (PubChem CID 46082752) has the molecular formula C20H22F3NOS and a molecular weight of 381.46 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
PubChem CID46082752
Molecular FormulaC20H22F3NOS
Molecular Weight381.46 g/mol
Exact Mass381.14
IUPAC NameN-cyclohexyl-N-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESCCN(C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1)C1CCCCC1
InChIInChI=1S/C20H22F3NOS/c1-2-24(16-9-4-3-5-10-16)19(25)18-12-11-17(26-18)14-7-6-8-15(13-14)20(21,22)23/h6-8,11-13,16H,2-5,9-10H2,1H3
InChIKeyMRRNGQUXJYUZOH-UHFFFAOYSA-N
XLogP6.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.46
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-cyclohexyl-N-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide (CID 46082752) is N-cyclohexyl-N-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide is CCN(C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is MRRNGQUXJYUZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NOS/c1-2-24(16-9-4-3-5-10-16)19(25)18-12-11-17(26-18)14-7-6-8-15(13-14)20(21,22)23/h6-8,11-13,16H,2-5,9-10H2,1H3.
What are the key properties of N-cyclohexyl-N-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
N-cyclohexyl-N-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 6.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 46082752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).