5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[[2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]thiophene-3-carboxamide

C20H24F3N3O3S — CID 123971462

IUPAC5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[[2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]thiophene-3-carboxamide
SMILESCCN(c1scc(C(=O)NCc2c(C(F)(F)F)cc[nH]c2=O)c1C)C1CCOCC1
InChIInChI=1S/C20H24F3N3O3S/c1-3-26(13-5-8-29-9-6-13)19-12(2)15(11-30-19)18(28)25-10-14-16(20(21,22)23)4-7-24-17(14)27/h4,7,11,13H,3,5-6,8-10H2,1-2H3,(H,24,27)(H,25,28)
InChIKeySXCCAMMOWARENX-UHFFFAOYSA-N
MW443.49 g/mol
LogP3.70
Rot. Bonds6

About 5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[[2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]thiophene-3-carboxamide

5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[[2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]thiophene-3-carboxamide (PubChem CID 123971462) has the molecular formula C20H24F3N3O3S and a molecular weight of 443.49 g/mol. Its IUPAC name is 5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[[2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[[2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]thiophene-3-carboxamide
PubChem CID123971462
Molecular FormulaC20H24F3N3O3S
Molecular Weight443.49 g/mol
Exact Mass443.15
IUPAC Name5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[[2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]thiophene-3-carboxamide
SMILESCCN(c1scc(C(=O)NCc2c(C(F)(F)F)cc[nH]c2=O)c1C)C1CCOCC1
InChIInChI=1S/C20H24F3N3O3S/c1-3-26(13-5-8-29-9-6-13)19-12(2)15(11-30-19)18(28)25-10-14-16(20(21,22)23)4-7-24-17(14)27/h4,7,11,13H,3,5-6,8-10H2,1-2H3,(H,24,27)(H,25,28)
InChIKeySXCCAMMOWARENX-UHFFFAOYSA-N
XLogP3.70
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[[2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-3H-pyridin-3-yl]methyl]thiophene-3-carboxamide
CID 131953996
5-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-4-methyl-N-((1,4,6-trimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)thiophene-3-carboxamide
CID 86763596
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide
CID 131953988
5-(((trans)-4-(dimethylamino)cyclohexyl)(ethyl)amino)-4-methyl-N-((4-methyl-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridin-3-yl)methyl)thiophene-3-carboxamide
CID 86763363
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl-(3-fluoropiperidin-4-yl)amino]-4-methylthiophene-3-carboxamide
CID 86764255
5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]thiophene-3-carboxamide
CID 86765027
4-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-5-(oxan-4-ylamino)thiophene-3-carboxamide
CID 144740455
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide
CID 86764912
N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide
CID 117816319
N-[(6-butyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide
CID 124001811
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-isocyano-4-methylthiophene-3-carboxamide
CID 140752945
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-isocyano-4-methylthiophene-3-carboxamide;hydrochloride
CID 157417554

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[[2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[[2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]thiophene-3-carboxamide (CID 123971462) is 5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[[2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[[2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[[2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]thiophene-3-carboxamide is CCN(c1scc(C(=O)NCc2c(C(F)(F)F)cc[nH]c2=O)c1C)C1CCOCC1.
What is the InChIKey of 5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[[2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]thiophene-3-carboxamide?
The InChIKey is SXCCAMMOWARENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O3S/c1-3-26(13-5-8-29-9-6-13)19-12(2)15(11-30-19)18(28)25-10-14-16(20(21,22)23)4-7-24-17(14)27/h4,7,11,13H,3,5-6,8-10H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[[2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]thiophene-3-carboxamide?
5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[[2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]thiophene-3-carboxamide has a molecular weight of 443.49 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[[2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 123971462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).