5-morpholin-4-yl-4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide

C22H25F3N2O2S — CID 24621446

IUPAC5-morpholin-4-yl-4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C22H25F3N2O2S/c23-22(24,25)16-7-4-8-17(13-16)26-20(28)19-14-18(15-5-2-1-3-6-15)21(30-19)27-9-11-29-12-10-27/h1-3,5-6,14,16-17H,4,7-13H2,(H,26,28)
InChIKeyYRBRGSSCONNOMF-UHFFFAOYSA-N
MW438.52 g/mol
LogP5.10
Rot. Bonds4

About 5-morpholin-4-yl-4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide

5-morpholin-4-yl-4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide (PubChem CID 24621446) has the molecular formula C22H25F3N2O2S and a molecular weight of 438.52 g/mol. Its IUPAC name is 5-morpholin-4-yl-4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-morpholin-4-yl-4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
PubChem CID24621446
Molecular FormulaC22H25F3N2O2S
Molecular Weight438.52 g/mol
Exact Mass438.16
IUPAC Name5-morpholin-4-yl-4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C22H25F3N2O2S/c23-22(24,25)16-7-4-8-17(13-16)26-20(28)19-14-18(15-5-2-1-3-6-15)21(30-19)27-9-11-29-12-10-27/h1-3,5-6,14,16-17H,4,7-13H2,(H,26,28)
InChIKeyYRBRGSSCONNOMF-UHFFFAOYSA-N
XLogP5.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.52
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide?
The IUPAC name of 5-morpholin-4-yl-4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide (CID 24621446) is 5-morpholin-4-yl-4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-morpholin-4-yl-4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide?
The canonical SMILES for 5-morpholin-4-yl-4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide is O=C(NC1CCCC(C(F)(F)F)C1)c1cc(-c2ccccc2)c(N2CCOCC2)s1.
What is the InChIKey of 5-morpholin-4-yl-4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide?
The InChIKey is YRBRGSSCONNOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O2S/c23-22(24,25)16-7-4-8-17(13-16)26-20(28)19-14-18(15-5-2-1-3-6-15)21(30-19)27-9-11-29-12-10-27/h1-3,5-6,14,16-17H,4,7-13H2,(H,26,28).
What are the key properties of 5-morpholin-4-yl-4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide?
5-morpholin-4-yl-4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide has a molecular weight of 438.52 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide is sourced from PubChem (CID 24621446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).