5-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzothiophene-2-carboxamide

C18H23FN2OS — CID 60567024

IUPAC5-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NC(C)CN2CCCCC2)sc2ccc(F)cc12
InChIInChI=1S/C18H23FN2OS/c1-12(11-21-8-4-3-5-9-21)20-18(22)17-13(2)15-10-14(19)6-7-16(15)23-17/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,20,22)
InChIKeyKDVJTVVEYCFILU-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.95
Rot. Bonds4

About 5-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzothiophene-2-carboxamide

5-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzothiophene-2-carboxamide (PubChem CID 60567024) has the molecular formula C18H23FN2OS and a molecular weight of 334.46 g/mol. Its IUPAC name is 5-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzothiophene-2-carboxamide
PubChem CID60567024
Molecular FormulaC18H23FN2OS
Molecular Weight334.46 g/mol
Exact Mass334.15
IUPAC Name5-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NC(C)CN2CCCCC2)sc2ccc(F)cc12
InChIInChI=1S/C18H23FN2OS/c1-12(11-21-8-4-3-5-9-21)20-18(22)17-13(2)15-10-14(19)6-7-16(15)23-17/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,20,22)
InChIKeyKDVJTVVEYCFILU-UHFFFAOYSA-N
XLogP3.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-3-methyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 55996813
4-fluoro-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 112702718
2-[(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)amino]propanediamide
CID 56798549
5-fluoro-N-(3-hydroxypropyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 110902894
4-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 63213435
5-fluoro-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide;hydrochloride
CID 119510947
N-(1-amino-2-methylpropan-2-yl)-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 119522236
5-fluoro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 119460953
2-fluoro-N-(1-piperidin-1-ylpropan-2-yl)-5-sulfanylbenzamide
CID 107025381
5-fluoro-3-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1-benzothiophene-2-carboxamide
CID 55996331
(3R)-1-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)pyrrolidine-3-carboxamide
CID 94467335
3-hydroxy-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 82828949

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzothiophene-2-carboxamide (CID 60567024) is 5-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzothiophene-2-carboxamide is Cc1c(C(=O)NC(C)CN2CCCCC2)sc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is KDVJTVVEYCFILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2OS/c1-12(11-21-8-4-3-5-9-21)20-18(22)17-13(2)15-10-14(19)6-7-16(15)23-17/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,20,22).
What are the key properties of 5-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzothiophene-2-carboxamide?
5-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 60567024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).