5-methoxy-3-methyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1-benzothiophene-2-carboxamide

C21H23N3O3S — CID 75469958

IUPAC5-methoxy-3-methyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2sc(C(=O)Nc3ccc(CN4CCOCC4)cn3)c(C)c2c1
InChIInChI=1S/C21H23N3O3S/c1-14-17-11-16(26-2)4-5-18(17)28-20(14)21(25)23-19-6-3-15(12-22-19)13-24-7-9-27-10-8-24/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,23,25)
InChIKeyMZFUYUGOBVJIGV-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.70
Rot. Bonds5

About 5-methoxy-3-methyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1-benzothiophene-2-carboxamide

5-methoxy-3-methyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1-benzothiophene-2-carboxamide (PubChem CID 75469958) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 5-methoxy-3-methyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-3-methyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1-benzothiophene-2-carboxamide
PubChem CID75469958
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name5-methoxy-3-methyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2sc(C(=O)Nc3ccc(CN4CCOCC4)cn3)c(C)c2c1
InChIInChI=1S/C21H23N3O3S/c1-14-17-11-16(26-2)4-5-18(17)28-20(14)21(25)23-19-6-3-15(12-22-19)13-24-7-9-27-10-8-24/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,23,25)
InChIKeyMZFUYUGOBVJIGV-UHFFFAOYSA-N
XLogP3.70
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-methoxy-3-methyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1-benzothiophene-2-carboxamide (CID 75469958) is 5-methoxy-3-methyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-methoxy-3-methyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-methoxy-3-methyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1-benzothiophene-2-carboxamide is COc1ccc2sc(C(=O)Nc3ccc(CN4CCOCC4)cn3)c(C)c2c1.
What is the InChIKey of 5-methoxy-3-methyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1-benzothiophene-2-carboxamide?
The InChIKey is MZFUYUGOBVJIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-14-17-11-16(26-2)4-5-18(17)28-20(14)21(25)23-19-6-3-15(12-22-19)13-24-7-9-27-10-8-24/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,23,25).
What are the key properties of 5-methoxy-3-methyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1-benzothiophene-2-carboxamide?
5-methoxy-3-methyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1-benzothiophene-2-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 75469958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).