N-methoxy-N-methyl-5-(quinolin-2-ylmethoxy)-1-benzothiophene-2-carboxamide

C21H18N2O3S — CID 10809661

IUPACN-methoxy-N-methyl-5-(quinolin-2-ylmethoxy)-1-benzothiophene-2-carboxamide
SMILESCON(C)C(=O)c1cc2cc(OCc3ccc4ccccc4n3)ccc2s1
InChIInChI=1S/C21H18N2O3S/c1-23(25-2)21(24)20-12-15-11-17(9-10-19(15)27-20)26-13-16-8-7-14-5-3-4-6-18(14)22-16/h3-12H,13H2,1-2H3
InChIKeyKTLDMWHCVRRKBO-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.66
Rot. Bonds5

About N-methoxy-N-methyl-5-(quinolin-2-ylmethoxy)-1-benzothiophene-2-carboxamide

N-methoxy-N-methyl-5-(quinolin-2-ylmethoxy)-1-benzothiophene-2-carboxamide (PubChem CID 10809661) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-methoxy-N-methyl-5-(quinolin-2-ylmethoxy)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-5-(quinolin-2-ylmethoxy)-1-benzothiophene-2-carboxamide
PubChem CID10809661
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC NameN-methoxy-N-methyl-5-(quinolin-2-ylmethoxy)-1-benzothiophene-2-carboxamide
SMILESCON(C)C(=O)c1cc2cc(OCc3ccc4ccccc4n3)ccc2s1
InChIInChI=1S/C21H18N2O3S/c1-23(25-2)21(24)20-12-15-11-17(9-10-19(15)27-20)26-13-16-8-7-14-5-3-4-6-18(14)22-16/h3-12H,13H2,1-2H3
InChIKeyKTLDMWHCVRRKBO-UHFFFAOYSA-N
XLogP4.66
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-5-(quinolin-2-ylmethoxy)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-methoxy-N-methyl-5-(quinolin-2-ylmethoxy)-1-benzothiophene-2-carboxamide (CID 10809661) is N-methoxy-N-methyl-5-(quinolin-2-ylmethoxy)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-5-(quinolin-2-ylmethoxy)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-5-(quinolin-2-ylmethoxy)-1-benzothiophene-2-carboxamide is CON(C)C(=O)c1cc2cc(OCc3ccc4ccccc4n3)ccc2s1.
What is the InChIKey of N-methoxy-N-methyl-5-(quinolin-2-ylmethoxy)-1-benzothiophene-2-carboxamide?
The InChIKey is KTLDMWHCVRRKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-23(25-2)21(24)20-12-15-11-17(9-10-19(15)27-20)26-13-16-8-7-14-5-3-4-6-18(14)22-16/h3-12H,13H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-5-(quinolin-2-ylmethoxy)-1-benzothiophene-2-carboxamide?
N-methoxy-N-methyl-5-(quinolin-2-ylmethoxy)-1-benzothiophene-2-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-5-(quinolin-2-ylmethoxy)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 10809661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).