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5-(6-morpholin-4-yl-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide

C22H20F3N3O2S — CID 117088244

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-(6-morpholin-4-yl-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1ccc(-c2ccc(N3CCOCC3)nc2)s1
InChIInChI=1S/C22H20F3N3O2S/c23-22(24,25)17-3-1-2-15(12-17)13-27-21(29)19-6-5-18(31-19)16-4-7-20(26-14-16)28-8-10-30-11-9-28/h1-7,12,14H,8-11,13H2,(H,27,29)
InChIKeyUQNHKAHWDSCETQ-UHFFFAOYSA-N
MW447.48 g/mol
LogP4.60
Rot. Bonds5

About 5-(6-morpholin-4-yl-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide

5-(6-morpholin-4-yl-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 117088244) has the molecular formula C22H20F3N3O2S and a molecular weight of 447.48 g/mol. Its IUPAC name is 5-(6-morpholin-4-yl-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(6-morpholin-4-yl-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
PubChem CID117088244
Molecular FormulaC22H20F3N3O2S
Molecular Weight447.48 g/mol
Exact Mass447.12
IUPAC Name5-(6-morpholin-4-yl-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1ccc(-c2ccc(N3CCOCC3)nc2)s1
InChIInChI=1S/C22H20F3N3O2S/c23-22(24,25)17-3-1-2-15(12-17)13-27-21(29)19-6-5-18(31-19)16-4-7-20(26-14-16)28-8-10-30-11-9-28/h1-7,12,14H,8-11,13H2,(H,27,29)
InChIKeyUQNHKAHWDSCETQ-UHFFFAOYSA-N
XLogP4.60
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.48
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-morpholin-4-yl-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-(6-morpholin-4-yl-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide (CID 117088244) is 5-(6-morpholin-4-yl-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(6-morpholin-4-yl-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(6-morpholin-4-yl-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(-c2ccc(N3CCOCC3)nc2)s1.
What is the InChIKey of 5-(6-morpholin-4-yl-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is UQNHKAHWDSCETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2S/c23-22(24,25)17-3-1-2-15(12-17)13-27-21(29)19-6-5-18(31-19)16-4-7-20(26-14-16)28-8-10-30-11-9-28/h1-7,12,14H,8-11,13H2,(H,27,29).
What are the key properties of 5-(6-morpholin-4-yl-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
5-(6-morpholin-4-yl-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 447.48 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-morpholin-4-yl-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 117088244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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