6-methoxy-N-pyridin-3-yl-5-(trifluoromethyl)-1-benzothiophene-3-carboxamide;hydrochloride

C16H12ClF3N2O2S — CID 67584327

IUPAC6-methoxy-N-pyridin-3-yl-5-(trifluoromethyl)-1-benzothiophene-3-carboxamide;hydrochloride
SMILESCOc1cc2scc(C(=O)Nc3cccnc3)c2cc1C(F)(F)F.Cl
InChIInChI=1S/C16H11F3N2O2S.ClH/c1-23-13-6-14-10(5-12(13)16(17,18)19)11(8-24-14)15(22)21-9-3-2-4-20-7-9;/h2-8H,1H3,(H,21,22);1H
InChIKeyUPTXDOZPUJONAY-UHFFFAOYSA-N
MW388.80 g/mol
LogP5.00
Rot. Bonds3

About 6-methoxy-N-pyridin-3-yl-5-(trifluoromethyl)-1-benzothiophene-3-carboxamide;hydrochloride

6-methoxy-N-pyridin-3-yl-5-(trifluoromethyl)-1-benzothiophene-3-carboxamide;hydrochloride (PubChem CID 67584327) has the molecular formula C16H12ClF3N2O2S and a molecular weight of 388.80 g/mol. Its IUPAC name is 6-methoxy-N-pyridin-3-yl-5-(trifluoromethyl)-1-benzothiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-methoxy-N-pyridin-3-yl-5-(trifluoromethyl)-1-benzothiophene-3-carboxamide;hydrochloride
PubChem CID67584327
Molecular FormulaC16H12ClF3N2O2S
Molecular Weight388.80 g/mol
Exact Mass388.03
IUPAC Name6-methoxy-N-pyridin-3-yl-5-(trifluoromethyl)-1-benzothiophene-3-carboxamide;hydrochloride
SMILESCOc1cc2scc(C(=O)Nc3cccnc3)c2cc1C(F)(F)F.Cl
InChIInChI=1S/C16H11F3N2O2S.ClH/c1-23-13-6-14-10(5-12(13)16(17,18)19)11(8-24-14)15(22)21-9-3-2-4-20-7-9;/h2-8H,1H3,(H,21,22);1H
InChIKeyUPTXDOZPUJONAY-UHFFFAOYSA-N
XLogP5.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.80
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{6-[4-(tert-butyl)phenoxy]-3-pyridinyl}-2-thiophenecarboxamide
CID 2814266
3-(6-Methoxy-3-pentyl-benzo[b]thiophen-2-yl)-N-(1-methyl-4-pyridin-3-yl-butyl)-acrylamide
CID 44329214
2-fluoro-4-methoxy-N-[5-(4-pyridin-3-ylthiophen-2-yl)-3-pyridinyl]benzamide
CID 145994089
(S)-N-(1-(pyndin-2-yl)ethyl)-7-(4-(trifluoromethyl)phenoxy)benzothiophene-2-carboxamide
CID 155213918
6-methoxy-N-pyridin-3-yl-5-(trifluoromethyl)-1-benzothiophene-3-carboxamide
CID 44213176
US10654814, Example 97
CID 129283400
5-methoxy-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 137635786
4-[[2-(ethylcarbamoyl)-3-methyl-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 137653911
3-methoxy-N-[5-(4-pyridin-3-ylthiophen-2-yl)-3-pyridinyl]benzamide
CID 145986103
2-methoxy-N-[5-(4-pyridin-3-ylthiophen-2-yl)-3-pyridinyl]benzamide
CID 145990161
4-methoxy-N-[5-(4-pyridin-3-ylthiophen-2-yl)-3-pyridinyl]benzamide
CID 145992503
3-(3-methoxyphenyl)-N-[5-(4-pyridin-3-ylthiophen-2-yl)-3-pyridinyl]propanamide
CID 145993664

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-pyridin-3-yl-5-(trifluoromethyl)-1-benzothiophene-3-carboxamide;hydrochloride?
The IUPAC name of 6-methoxy-N-pyridin-3-yl-5-(trifluoromethyl)-1-benzothiophene-3-carboxamide;hydrochloride (CID 67584327) is 6-methoxy-N-pyridin-3-yl-5-(trifluoromethyl)-1-benzothiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-methoxy-N-pyridin-3-yl-5-(trifluoromethyl)-1-benzothiophene-3-carboxamide;hydrochloride?
The canonical SMILES for 6-methoxy-N-pyridin-3-yl-5-(trifluoromethyl)-1-benzothiophene-3-carboxamide;hydrochloride is COc1cc2scc(C(=O)Nc3cccnc3)c2cc1C(F)(F)F.Cl.
What is the InChIKey of 6-methoxy-N-pyridin-3-yl-5-(trifluoromethyl)-1-benzothiophene-3-carboxamide;hydrochloride?
The InChIKey is UPTXDOZPUJONAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2S.ClH/c1-23-13-6-14-10(5-12(13)16(17,18)19)11(8-24-14)15(22)21-9-3-2-4-20-7-9;/h2-8H,1H3,(H,21,22);1H.
What are the key properties of 6-methoxy-N-pyridin-3-yl-5-(trifluoromethyl)-1-benzothiophene-3-carboxamide;hydrochloride?
6-methoxy-N-pyridin-3-yl-5-(trifluoromethyl)-1-benzothiophene-3-carboxamide;hydrochloride has a molecular weight of 388.80 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-pyridin-3-yl-5-(trifluoromethyl)-1-benzothiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 67584327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).