N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

C23H20F3N3O3S — CID 33170746

IUPACN-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1c(-c2ccccc2)sc(NC(=O)c2ccc(C(F)(F)F)nc2)c1C(=O)N1CCOCC1
InChIInChI=1S/C23H20F3N3O3S/c1-14-18(22(31)29-9-11-32-12-10-29)21(33-19(14)15-5-3-2-4-6-15)28-20(30)16-7-8-17(27-13-16)23(24,25)26/h2-8,13H,9-12H2,1H3,(H,28,30)
InChIKeyORXBFNIRCPYWHM-UHFFFAOYSA-N
MW475.49 g/mol
LogP4.86
Rot. Bonds4

About N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 33170746) has the molecular formula C23H20F3N3O3S and a molecular weight of 475.49 g/mol. Its IUPAC name is N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID33170746
Molecular FormulaC23H20F3N3O3S
Molecular Weight475.49 g/mol
Exact Mass475.12
IUPAC NameN-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1c(-c2ccccc2)sc(NC(=O)c2ccc(C(F)(F)F)nc2)c1C(=O)N1CCOCC1
InChIInChI=1S/C23H20F3N3O3S/c1-14-18(22(31)29-9-11-32-12-10-29)21(33-19(14)15-5-3-2-4-6-15)28-20(30)16-7-8-17(27-13-16)23(24,25)26/h2-8,13H,9-12H2,1H3,(H,28,30)
InChIKeyORXBFNIRCPYWHM-UHFFFAOYSA-N
XLogP4.86
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.49
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 33170746) is N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1c(-c2ccccc2)sc(NC(=O)c2ccc(C(F)(F)F)nc2)c1C(=O)N1CCOCC1.
What is the InChIKey of N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is ORXBFNIRCPYWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O3S/c1-14-18(22(31)29-9-11-32-12-10-29)21(33-19(14)15-5-3-2-4-6-15)28-20(30)16-7-8-17(27-13-16)23(24,25)26/h2-8,13H,9-12H2,1H3,(H,28,30).
What are the key properties of N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 475.49 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 33170746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).