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

C26H24N2O4S — CID 46537603

IUPACN-(2-methoxyphenyl)-3-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)N(C)Cc1ccsc1
InChIInChI=1S/C26H24N2O4S/c1-28(15-18-11-12-33-17-18)25(29)16-32-24-14-20-8-4-3-7-19(20)13-21(24)26(30)27-22-9-5-6-10-23(22)31-2/h3-14,17H,15-16H2,1-2H3,(H,27,30)
InChIKeyUYEWQMOLXKYADV-UHFFFAOYSA-N
MW460.56 g/mol
LogP5.20
Rot. Bonds8

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

N-(2-methoxyphenyl)-3-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide (PubChem CID 46537603) 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-3-ylmethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide
PubChem CID46537603
Molecular FormulaC26H24N2O4S
Molecular Weight460.56 g/mol
Exact Mass460.15
IUPAC NameN-(2-methoxyphenyl)-3-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)N(C)Cc1ccsc1
InChIInChI=1S/C26H24N2O4S/c1-28(15-18-11-12-33-17-18)25(29)16-32-24-14-20-8-4-3-7-19(20)13-21(24)26(30)27-22-9-5-6-10-23(22)31-2/h3-14,17H,15-16H2,1-2H3,(H,27,30)
InChIKeyUYEWQMOLXKYADV-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

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

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Related Compounds

N-(2-methoxyphenyl)-3-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide
CID 46603751
3-[2-(2,3-dimethylanilino)-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 26217134
3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 32512845
3-[2-[(3-chlorophenyl)methylamino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 112788524
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 3,4-dimethoxybenzoate
CID 9200491
methyl 2-[(3-ethoxynaphthalene-2-carbonyl)amino]benzoate
CID 18093375
N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(thiophen-3-ylmethyl)acetamide
CID 106485959
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] anthracene-9-carboxylate
CID 9231185
3-methoxy-N-[5-[(3-methoxynaphthalene-2-carbonyl)amino]naphthalen-1-yl]naphthalene-2-carboxamide
CID 5082580
1-methyl-3-naphthalen-1-yl-1-(thiophen-3-ylmethyl)urea
CID 17467272
[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-acetamidonaphthalene-2-carboxylate
CID 38129364
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-hydroxyphenoxy)-N-methylacetamide
CID 17489631

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-3-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide (CID 46537603) is N-(2-methoxyphenyl)-3-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide is COc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)N(C)Cc1ccsc1.
What is the InChIKey of N-(2-methoxyphenyl)-3-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide?
The InChIKey is UYEWQMOLXKYADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4S/c1-28(15-18-11-12-33-17-18)25(29)16-32-24-14-20-8-4-3-7-19(20)13-21(24)26(30)27-22-9-5-6-10-23(22)31-2/h3-14,17H,15-16H2,1-2H3,(H,27,30).
What are the key properties of N-(2-methoxyphenyl)-3-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide?
N-(2-methoxyphenyl)-3-[2-[methyl(thiophen-3-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-3-ylmethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 46537603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).