5-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide

C17H17F3N2O2S — CID 118714432

IUPAC5-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(CN2CCOCC2)s1
InChIInChI=1S/C17H17F3N2O2S/c18-17(19,20)12-1-3-13(4-2-12)21-16(23)15-6-5-14(25-15)11-22-7-9-24-10-8-22/h1-6H,7-11H2,(H,21,23)
InChIKeyHZWQBWRQZUCRHI-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.85
Rot. Bonds4

About 5-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide

5-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide (PubChem CID 118714432) has the molecular formula C17H17F3N2O2S and a molecular weight of 370.40 g/mol. Its IUPAC name is 5-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
PubChem CID118714432
Molecular FormulaC17H17F3N2O2S
Molecular Weight370.40 g/mol
Exact Mass370.10
IUPAC Name5-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(CN2CCOCC2)s1
InChIInChI=1S/C17H17F3N2O2S/c18-17(19,20)12-1-3-13(4-2-12)21-16(23)15-6-5-14(25-15)11-22-7-9-24-10-8-22/h1-6H,7-11H2,(H,21,23)
InChIKeyHZWQBWRQZUCRHI-UHFFFAOYSA-N
XLogP3.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide (CID 118714432) is 5-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(CN2CCOCC2)s1.
What is the InChIKey of 5-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is HZWQBWRQZUCRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2S/c18-17(19,20)12-1-3-13(4-2-12)21-16(23)15-6-5-14(25-15)11-22-7-9-24-10-8-22/h1-6H,7-11H2,(H,21,23).
What are the key properties of 5-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
5-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 370.40 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 118714432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).