N-(2-phenylethyl)-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide

C22H24N2O2S — CID 90671365

IUPACN-(2-phenylethyl)-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1sc2ccccc2c1OC1CCNCC1
InChIInChI=1S/C22H24N2O2S/c25-22(24-15-10-16-6-2-1-3-7-16)21-20(26-17-11-13-23-14-12-17)18-8-4-5-9-19(18)27-21/h1-9,17,23H,10-15H2,(H,24,25)
InChIKeyQORVDNKCVUSQAV-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.00
Rot. Bonds6

About N-(2-phenylethyl)-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide

N-(2-phenylethyl)-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide (PubChem CID 90671365) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-(2-phenylethyl)-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide
PubChem CID90671365
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC NameN-(2-phenylethyl)-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1sc2ccccc2c1OC1CCNCC1
InChIInChI=1S/C22H24N2O2S/c25-22(24-15-10-16-6-2-1-3-7-16)21-20(26-17-11-13-23-14-12-17)18-8-4-5-9-19(18)27-21/h1-9,17,23H,10-15H2,(H,24,25)
InChIKeyQORVDNKCVUSQAV-UHFFFAOYSA-N
XLogP4.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-phenylethyl)-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide (CID 90671365) is N-(2-phenylethyl)-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide is O=C(NCCc1ccccc1)c1sc2ccccc2c1OC1CCNCC1.
What is the InChIKey of N-(2-phenylethyl)-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide?
The InChIKey is QORVDNKCVUSQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c25-22(24-15-10-16-6-2-1-3-7-16)21-20(26-17-11-13-23-14-12-17)18-8-4-5-9-19(18)27-21/h1-9,17,23H,10-15H2,(H,24,25).
What are the key properties of N-(2-phenylethyl)-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide?
N-(2-phenylethyl)-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide has a molecular weight of 380.51 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 90671365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).