2-methyl-N-(1-methylpiperidin-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzothiophene-3-carboxamide

C23H24F3N3O2S — CID 170599558

IUPAC2-methyl-N-(1-methylpiperidin-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzothiophene-3-carboxamide
SMILESCc1sc2ccc(OCc3cccnc3C(F)(F)F)cc2c1C(=O)NC1CCN(C)CC1
InChIInChI=1S/C23H24F3N3O2S/c1-14-20(22(30)28-16-7-10-29(2)11-8-16)18-12-17(5-6-19(18)32-14)31-13-15-4-3-9-27-21(15)23(24,25)26/h3-6,9,12,16H,7-8,10-11,13H2,1-2H3,(H,28,30)
InChIKeyJZNKSZRUCQJLOG-UHFFFAOYSA-N
MW463.53 g/mol
LogP5.03
Rot. Bonds5

About 2-methyl-N-(1-methylpiperidin-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzothiophene-3-carboxamide

2-methyl-N-(1-methylpiperidin-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzothiophene-3-carboxamide (PubChem CID 170599558) has the molecular formula C23H24F3N3O2S and a molecular weight of 463.53 g/mol. Its IUPAC name is 2-methyl-N-(1-methylpiperidin-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1-methylpiperidin-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzothiophene-3-carboxamide
PubChem CID170599558
Molecular FormulaC23H24F3N3O2S
Molecular Weight463.53 g/mol
Exact Mass463.15
IUPAC Name2-methyl-N-(1-methylpiperidin-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzothiophene-3-carboxamide
SMILESCc1sc2ccc(OCc3cccnc3C(F)(F)F)cc2c1C(=O)NC1CCN(C)CC1
InChIInChI=1S/C23H24F3N3O2S/c1-14-20(22(30)28-16-7-10-29(2)11-8-16)18-12-17(5-6-19(18)32-14)31-13-15-4-3-9-27-21(15)23(24,25)26/h3-6,9,12,16H,7-8,10-11,13H2,1-2H3,(H,28,30)
InChIKeyJZNKSZRUCQJLOG-UHFFFAOYSA-N
XLogP5.03
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.53
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-(1-methylpiperidin-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzothiophene-3-carboxamide with MolForge

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Related Compounds

ethane;2-methyl-N-pyrrolidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380526
5-[(2-fluorophenyl)methoxy]-N-[(3R)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzothiophene-3-carboxamide
CID 175961150
N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380775
N-(4,4-difluorooxolan-3-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380454
tert-butyl 4-[[2,7-dimethyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carbonyl]amino]-3,3-difluoropiperidine-1-carboxylate
CID 163380658
2-methyl-N-(1H-pyrazol-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380491
methyl 5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1H-indazole-3-carboxylate
CID 170602810
4-[(2-chlorophenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide
CID 56919566
N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]indazole-3-carboxamide
CID 170602684
tert-butyl 4-[[7-cyano-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carbonyl]amino]-3,3-difluoropiperidine-1-carboxylate
CID 163380669
5-(cyclopropylmethoxy)-2-methyl-N-(1-methylpiperidin-4-yl)-1-benzofuran-3-carboxamide
CID 175963546
2,2-difluoro-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-2-pyridinyl)oxy]propanamide
CID 153338973

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methylpiperidin-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-methyl-N-(1-methylpiperidin-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzothiophene-3-carboxamide (CID 170599558) is 2-methyl-N-(1-methylpiperidin-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(1-methylpiperidin-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-methyl-N-(1-methylpiperidin-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzothiophene-3-carboxamide is Cc1sc2ccc(OCc3cccnc3C(F)(F)F)cc2c1C(=O)NC1CCN(C)CC1.
What is the InChIKey of 2-methyl-N-(1-methylpiperidin-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzothiophene-3-carboxamide?
The InChIKey is JZNKSZRUCQJLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O2S/c1-14-20(22(30)28-16-7-10-29(2)11-8-16)18-12-17(5-6-19(18)32-14)31-13-15-4-3-9-27-21(15)23(24,25)26/h3-6,9,12,16H,7-8,10-11,13H2,1-2H3,(H,28,30).
What are the key properties of 2-methyl-N-(1-methylpiperidin-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzothiophene-3-carboxamide?
2-methyl-N-(1-methylpiperidin-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzothiophene-3-carboxamide has a molecular weight of 463.53 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methylpiperidin-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 170599558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).