3,6-dichloro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide

C14H14Cl2N2OS — CID 119389377

IUPAC3,6-dichloro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide
SMILESO=C(NC1CCNCC1)c1sc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C14H14Cl2N2OS/c15-8-1-2-10-11(7-8)20-13(12(10)16)14(19)18-9-3-5-17-6-4-9/h1-2,7,9,17H,3-6H2,(H,18,19)
InChIKeyREGUHCOFQNGXIV-UHFFFAOYSA-N
MW329.25 g/mol
LogP3.69
Rot. Bonds2

About 3,6-dichloro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide

3,6-dichloro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide (PubChem CID 119389377) has the molecular formula C14H14Cl2N2OS and a molecular weight of 329.25 g/mol. Its IUPAC name is 3,6-dichloro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide
PubChem CID119389377
Molecular FormulaC14H14Cl2N2OS
Molecular Weight329.25 g/mol
Exact Mass328.02
IUPAC Name3,6-dichloro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide
SMILESO=C(NC1CCNCC1)c1sc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C14H14Cl2N2OS/c15-8-1-2-10-11(7-8)20-13(12(10)16)14(19)18-9-3-5-17-6-4-9/h1-2,7,9,17H,3-6H2,(H,18,19)
InChIKeyREGUHCOFQNGXIV-UHFFFAOYSA-N
XLogP3.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-3,6-dichloro-1-benzothiophene-2-carboxamide
CID 119458580
3,6-dichloro-N-(2-pyrrolidin-3-ylethyl)-1-benzothiophene-2-carboxamide
CID 119537076
3,6-dichloro-N-[(1R,2R)-2-methylcyclohexyl]-1-benzothiophene-2-carboxamide
CID 2402804
3,6-dichloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide
CID 119558468
3-chloro-N-cyclopropyl-6-nitro-1-benzothiophene-2-carboxamide
CID 831416
3,6-dichloro-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1-benzothiophene-2-carboxamide
CID 11913955
3-chloro-N-cyclohexyl-6-methoxy-1-benzothiophene-2-carboxamide
CID 675724
2,5-dichloro-N-piperidin-4-ylbenzamide
CID 43345741
4-chloro-2-hydroxy-N-piperidin-4-ylbenzamide
CID 43345705
(3,6-dichloro-1-benzothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119563072
3,6-dichloro-N-(2,4-dichlorophenyl)-1-benzothiophene-2-carboxamide
CID 3618411
3,6-dichloro-N-[[(1S,2R)-2-methylcyclohexyl]carbamothioyl]-1-benzothiophene-2-carboxamide
CID 2405925

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide (CID 119389377) is 3,6-dichloro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide is O=C(NC1CCNCC1)c1sc2cc(Cl)ccc2c1Cl.
What is the InChIKey of 3,6-dichloro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide?
The InChIKey is REGUHCOFQNGXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2OS/c15-8-1-2-10-11(7-8)20-13(12(10)16)14(19)18-9-3-5-17-6-4-9/h1-2,7,9,17H,3-6H2,(H,18,19).
What are the key properties of 3,6-dichloro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide?
3,6-dichloro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide has a molecular weight of 329.25 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 119389377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).