3,6-dichloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide

C16H18Cl2N2OS — CID 119558468

IUPAC3,6-dichloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCCC1CCCNC1)c1sc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C16H18Cl2N2OS/c17-11-3-4-12-13(8-11)22-15(14(12)18)16(21)20-7-5-10-2-1-6-19-9-10/h3-4,8,10,19H,1-2,5-7,9H2,(H,20,21)
InChIKeyBUNOCCANFPYHNZ-UHFFFAOYSA-N
MW357.31 g/mol
LogP4.33
Rot. Bonds4

About 3,6-dichloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide

3,6-dichloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide (PubChem CID 119558468) has the molecular formula C16H18Cl2N2OS and a molecular weight of 357.31 g/mol. Its IUPAC name is 3,6-dichloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide
PubChem CID119558468
Molecular FormulaC16H18Cl2N2OS
Molecular Weight357.31 g/mol
Exact Mass356.05
IUPAC Name3,6-dichloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCCC1CCCNC1)c1sc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C16H18Cl2N2OS/c17-11-3-4-12-13(8-11)22-15(14(12)18)16(21)20-7-5-10-2-1-6-19-9-10/h3-4,8,10,19H,1-2,5-7,9H2,(H,20,21)
InChIKeyBUNOCCANFPYHNZ-UHFFFAOYSA-N
XLogP4.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dichloro-N-(2-pyrrolidin-3-ylethyl)-1-benzothiophene-2-carboxamide
CID 119537076
3-chloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide
CID 126786471
3-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628186
3-chloro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
CID 80641488
3,4,6-trichloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 119461750
3,6-dichloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 47099946
N-(3-aminopropyl)-3,6-dichloro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119408040
4-chloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzamide
CID 107990343
5-chloro-2-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide
CID 119556038
3-bromo-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 86777491
1-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119559418
2,3,4-trifluoro-N-(2-piperidin-3-ylethyl)benzamide
CID 79749359

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide (CID 119558468) is 3,6-dichloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide is O=C(NCCC1CCCNC1)c1sc2cc(Cl)ccc2c1Cl.
What is the InChIKey of 3,6-dichloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is BUNOCCANFPYHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2OS/c17-11-3-4-12-13(8-11)22-15(14(12)18)16(21)20-7-5-10-2-1-6-19-9-10/h3-4,8,10,19H,1-2,5-7,9H2,(H,20,21).
What are the key properties of 3,6-dichloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide?
3,6-dichloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 357.31 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 119558468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).