N-[(3-methoxyphenyl)methyl]-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide

C22H24N2O3S — CID 71545544

IUPACN-[(3-methoxyphenyl)methyl]-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2sc3ccccc3c2OC2CCNCC2)c1
InChIInChI=1S/C22H24N2O3S/c1-26-17-6-4-5-15(13-17)14-24-22(25)21-20(27-16-9-11-23-12-10-16)18-7-2-3-8-19(18)28-21/h2-8,13,16,23H,9-12,14H2,1H3,(H,24,25)
InChIKeyJIYBBXOIGKTWRF-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.97
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide

N-[(3-methoxyphenyl)methyl]-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide (PubChem CID 71545544) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide
PubChem CID71545544
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-[(3-methoxyphenyl)methyl]-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2sc3ccccc3c2OC2CCNCC2)c1
InChIInChI=1S/C22H24N2O3S/c1-26-17-6-4-5-15(13-17)14-24-22(25)21-20(27-16-9-11-23-12-10-16)18-7-2-3-8-19(18)28-21/h2-8,13,16,23H,9-12,14H2,1H3,(H,24,25)
InChIKeyJIYBBXOIGKTWRF-UHFFFAOYSA-N
XLogP3.97
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide (CID 71545544) is N-[(3-methoxyphenyl)methyl]-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide is COc1cccc(CNC(=O)c2sc3ccccc3c2OC2CCNCC2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide?
The InChIKey is JIYBBXOIGKTWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-26-17-6-4-5-15(13-17)14-24-22(25)21-20(27-16-9-11-23-12-10-16)18-7-2-3-8-19(18)28-21/h2-8,13,16,23H,9-12,14H2,1H3,(H,24,25).
What are the key properties of N-[(3-methoxyphenyl)methyl]-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide has a molecular weight of 396.51 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 71545544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).