6-methoxy-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-benzothiophene-2-carboxamide

C22H24N2O2S — CID 70687212

IUPAC6-methoxy-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3ccc(C4CCN(C)CC4)cc3)sc2c1
InChIInChI=1S/C22H24N2O2S/c1-24-11-9-16(10-12-24)15-3-6-18(7-4-15)23-22(25)21-13-17-5-8-19(26-2)14-20(17)27-21/h3-8,13-14,16H,9-12H2,1-2H3,(H,23,25)
InChIKeyCVHPGUWEZFJFEF-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.97
Rot. Bonds4

About 6-methoxy-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-benzothiophene-2-carboxamide

6-methoxy-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 70687212) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 6-methoxy-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-benzothiophene-2-carboxamide
PubChem CID70687212
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name6-methoxy-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3ccc(C4CCN(C)CC4)cc3)sc2c1
InChIInChI=1S/C22H24N2O2S/c1-24-11-9-16(10-12-24)15-3-6-18(7-4-15)23-22(25)21-13-17-5-8-19(26-2)14-20(17)27-21/h3-8,13-14,16H,9-12H2,1-2H3,(H,23,25)
InChIKeyCVHPGUWEZFJFEF-UHFFFAOYSA-N
XLogP4.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-methoxy-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-benzothiophene-2-carboxamide (CID 70687212) is 6-methoxy-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-methoxy-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-benzothiophene-2-carboxamide is COc1ccc2cc(C(=O)Nc3ccc(C4CCN(C)CC4)cc3)sc2c1.
What is the InChIKey of 6-methoxy-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is CVHPGUWEZFJFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-24-11-9-16(10-12-24)15-3-6-18(7-4-15)23-22(25)21-13-17-5-8-19(26-2)14-20(17)27-21/h3-8,13-14,16H,9-12H2,1-2H3,(H,23,25).
What are the key properties of 6-methoxy-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-benzothiophene-2-carboxamide?
6-methoxy-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 380.51 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 70687212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).