N-(2-methoxyphenyl)-3-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide

C26H24N2O4S — CID 46603751

IUPACN-(2-methoxyphenyl)-3-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)N(C)Cc1cccs1
InChIInChI=1S/C26H24N2O4S/c1-28(16-20-10-7-13-33-20)25(29)17-32-24-15-19-9-4-3-8-18(19)14-21(24)26(30)27-22-11-5-6-12-23(22)31-2/h3-15H,16-17H2,1-2H3,(H,27,30)
InChIKeyDOKZNHZKAMUOQP-UHFFFAOYSA-N
MW460.56 g/mol
LogP5.20
Rot. Bonds8

About N-(2-methoxyphenyl)-3-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide

N-(2-methoxyphenyl)-3-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide (PubChem CID 46603751) has the molecular formula C26H24N2O4S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide
PubChem CID46603751
Molecular FormulaC26H24N2O4S
Molecular Weight460.56 g/mol
Exact Mass460.15
IUPAC NameN-(2-methoxyphenyl)-3-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)N(C)Cc1cccs1
InChIInChI=1S/C26H24N2O4S/c1-28(16-20-10-7-13-33-20)25(29)17-32-24-15-19-9-4-3-8-18(19)14-21(24)26(30)27-22-11-5-6-12-23(22)31-2/h3-15H,16-17H2,1-2H3,(H,27,30)
InChIKeyDOKZNHZKAMUOQP-UHFFFAOYSA-N
XLogP5.20
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.56
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-3-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide
CID 46537603
2-(2-acetamidophenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 8001547
2-(2-methoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78762295
N-(2-methylphenyl)-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]naphthalene-2-carboxamide
CID 17453522
N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide
CID 78762396
N-(2-methoxyphenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-propylamino]acetamide
CID 51171423
2-(3,4-dimethylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78760305
3-[2-(2,3-dimethylanilino)-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 26217134
2-(4-ethoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 84601120
3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 32512845
2-(4-benzoylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 2457089
2-(2,5-dimethoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78806385

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-3-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide (CID 46603751) is N-(2-methoxyphenyl)-3-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide is COc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)N(C)Cc1cccs1.
What is the InChIKey of N-(2-methoxyphenyl)-3-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide?
The InChIKey is DOKZNHZKAMUOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4S/c1-28(16-20-10-7-13-33-20)25(29)17-32-24-15-19-9-4-3-8-18(19)14-21(24)26(30)27-22-11-5-6-12-23(22)31-2/h3-15H,16-17H2,1-2H3,(H,27,30).
What are the key properties of N-(2-methoxyphenyl)-3-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide?
N-(2-methoxyphenyl)-3-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide has a molecular weight of 460.56 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 46603751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).