3-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-1-benzothiophene-2-carboxamide

C20H18Cl2N2OS — CID 4643285

IUPAC3-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1N1CCCCC1)c1sc2ccccc2c1Cl
InChIInChI=1S/C20H18Cl2N2OS/c21-14-8-6-9-15(18(14)24-11-4-1-5-12-24)23-20(25)19-17(22)13-7-2-3-10-16(13)26-19/h2-3,6-10H,1,4-5,11-12H2,(H,23,25)
InChIKeyYAHVNAKQYKSLJQ-UHFFFAOYSA-N
MW405.35 g/mol
LogP6.45
Rot. Bonds3

About 3-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-1-benzothiophene-2-carboxamide

3-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-1-benzothiophene-2-carboxamide (PubChem CID 4643285) has the molecular formula C20H18Cl2N2OS and a molecular weight of 405.35 g/mol. Its IUPAC name is 3-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-1-benzothiophene-2-carboxamide
PubChem CID4643285
Molecular FormulaC20H18Cl2N2OS
Molecular Weight405.35 g/mol
Exact Mass404.05
IUPAC Name3-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1N1CCCCC1)c1sc2ccccc2c1Cl
InChIInChI=1S/C20H18Cl2N2OS/c21-14-8-6-9-15(18(14)24-11-4-1-5-12-24)23-20(25)19-17(22)13-7-2-3-10-16(13)26-19/h2-3,6-10H,1,4-5,11-12H2,(H,23,25)
InChIKeyYAHVNAKQYKSLJQ-UHFFFAOYSA-N
XLogP6.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.35
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[3-chloro-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]-1-benzothiophene-2-carboxamide
CID 17092360
3-chloro-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-1-benzothiophene-2-carboxamide
CID 35397504
3,6-dichloro-N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide
CID 4023040
N-(3-chloro-2-piperidin-1-ylphenyl)benzamide
CID 952564
N-[2-[2-(azepan-1-yl)anilino]-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide
CID 112812517
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide
CID 1258046
N-(2-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 606808
3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 32948486
3-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 46534358
3,6-dichloro-N-[3-chloro-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]-1-benzothiophene-2-carboxamide
CID 17092359
3-chloro-N-phenanthren-1-yl-1-benzothiophene-2-carboxamide
CID 10000300
3-chloro-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide
CID 46410670

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-1-benzothiophene-2-carboxamide (CID 4643285) is 3-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-1-benzothiophene-2-carboxamide is O=C(Nc1cccc(Cl)c1N1CCCCC1)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is YAHVNAKQYKSLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2OS/c21-14-8-6-9-15(18(14)24-11-4-1-5-12-24)23-20(25)19-17(22)13-7-2-3-10-16(13)26-19/h2-3,6-10H,1,4-5,11-12H2,(H,23,25).
What are the key properties of 3-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-1-benzothiophene-2-carboxamide?
3-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 405.35 g/mol, XLogP of 6.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 4643285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).