N-[2-(4-chlorophenyl)ethyl]-N-piperidin-4-yl-1-benzothiophene-3-carboxamide

C22H23ClN2OS — CID 44589667

IUPACN-[2-(4-chlorophenyl)ethyl]-N-piperidin-4-yl-1-benzothiophene-3-carboxamide
SMILESO=C(c1csc2ccccc12)N(CCc1ccc(Cl)cc1)C1CCNCC1
InChIInChI=1S/C22H23ClN2OS/c23-17-7-5-16(6-8-17)11-14-25(18-9-12-24-13-10-18)22(26)20-15-27-21-4-2-1-3-19(20)21/h1-8,15,18,24H,9-14H2
InChIKeyUVDAHQDWBPCRAU-UHFFFAOYSA-N
MW398.96 g/mol
LogP4.99
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-N-piperidin-4-yl-1-benzothiophene-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-N-piperidin-4-yl-1-benzothiophene-3-carboxamide (PubChem CID 44589667) has the molecular formula C22H23ClN2OS and a molecular weight of 398.96 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-N-piperidin-4-yl-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-N-piperidin-4-yl-1-benzothiophene-3-carboxamide
PubChem CID44589667
Molecular FormulaC22H23ClN2OS
Molecular Weight398.96 g/mol
Exact Mass398.12
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-N-piperidin-4-yl-1-benzothiophene-3-carboxamide
SMILESO=C(c1csc2ccccc12)N(CCc1ccc(Cl)cc1)C1CCNCC1
InChIInChI=1S/C22H23ClN2OS/c23-17-7-5-16(6-8-17)11-14-25(18-9-12-24-13-10-18)22(26)20-15-27-21-4-2-1-3-19(20)21/h1-8,15,18,24H,9-14H2
InChIKeyUVDAHQDWBPCRAU-UHFFFAOYSA-N
XLogP4.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.96
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N-piperidin-4-yl-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N-piperidin-4-yl-1-benzothiophene-3-carboxamide (CID 44589667) is N-[2-(4-chlorophenyl)ethyl]-N-piperidin-4-yl-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-N-piperidin-4-yl-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-N-piperidin-4-yl-1-benzothiophene-3-carboxamide is O=C(c1csc2ccccc12)N(CCc1ccc(Cl)cc1)C1CCNCC1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-N-piperidin-4-yl-1-benzothiophene-3-carboxamide?
The InChIKey is UVDAHQDWBPCRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2OS/c23-17-7-5-16(6-8-17)11-14-25(18-9-12-24-13-10-18)22(26)20-15-27-21-4-2-1-3-19(20)21/h1-8,15,18,24H,9-14H2.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-N-piperidin-4-yl-1-benzothiophene-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-N-piperidin-4-yl-1-benzothiophene-3-carboxamide has a molecular weight of 398.96 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-N-piperidin-4-yl-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 44589667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).