N-(2-methylphenyl)-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]naphthalene-2-carboxamide

C25H22N2O3S — CID 17453522

IUPACN-(2-methylphenyl)-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]naphthalene-2-carboxamide
SMILESCc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)NCc1cccs1
InChIInChI=1S/C25H22N2O3S/c1-17-7-2-5-11-22(17)27-25(29)21-13-18-8-3-4-9-19(18)14-23(21)30-16-24(28)26-15-20-10-6-12-31-20/h2-14H,15-16H2,1H3,(H,26,28)(H,27,29)
InChIKeyONQFUTWZBNEZNQ-UHFFFAOYSA-N
MW430.53 g/mol
LogP5.16
Rot. Bonds7

About N-(2-methylphenyl)-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]naphthalene-2-carboxamide

N-(2-methylphenyl)-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]naphthalene-2-carboxamide (PubChem CID 17453522) has the molecular formula C25H22N2O3S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]naphthalene-2-carboxamide
PubChem CID17453522
Molecular FormulaC25H22N2O3S
Molecular Weight430.53 g/mol
Exact Mass430.14
IUPAC NameN-(2-methylphenyl)-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]naphthalene-2-carboxamide
SMILESCc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)NCc1cccs1
InChIInChI=1S/C25H22N2O3S/c1-17-7-2-5-11-22(17)27-25(29)21-13-18-8-3-4-9-19(18)14-23(21)30-16-24(28)26-15-20-10-6-12-31-20/h2-14H,15-16H2,1H3,(H,26,28)(H,27,29)
InChIKeyONQFUTWZBNEZNQ-UHFFFAOYSA-N
XLogP5.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-N-(2-methylphenyl)naphthalene-2-carboxamide
CID 7893615
N-(2-methylphenyl)-3-[2-oxo-2-(propylamino)ethoxy]naphthalene-2-carboxamide
CID 7893630
3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]-N-(2-methylphenyl)naphthalene-2-carboxamide
CID 7893624
N-(2-methylphenyl)-3-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]naphthalene-2-carboxamide
CID 52891651
N-(2-methoxyphenyl)-3-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide
CID 46603751
2-Anthracenecarboxamide, N-(2-methylphenyl)-3-(phosphonooxy)-, sodium salt (1:2)
CID 131864598
methyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]benzoate
CID 7894213
3-[2-(2,3-dimethylanilino)-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 26217134
5-methyl-2-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]benzoic acid
CID 60652928
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(thiophen-2-ylmethyl)naphthalene-2-carboxamide
CID 30662522
N-(2-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]naphthalene-2-carboxamide
CID 7893620
3-[2-[(3-chlorophenyl)methylamino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 112788524

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]naphthalene-2-carboxamide?
The IUPAC name of N-(2-methylphenyl)-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]naphthalene-2-carboxamide (CID 17453522) is N-(2-methylphenyl)-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]naphthalene-2-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]naphthalene-2-carboxamide is Cc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)NCc1cccs1.
What is the InChIKey of N-(2-methylphenyl)-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]naphthalene-2-carboxamide?
The InChIKey is ONQFUTWZBNEZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3S/c1-17-7-2-5-11-22(17)27-25(29)21-13-18-8-3-4-9-19(18)14-23(21)30-16-24(28)26-15-20-10-6-12-31-20/h2-14H,15-16H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-(2-methylphenyl)-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]naphthalene-2-carboxamide?
N-(2-methylphenyl)-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]naphthalene-2-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 17453522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).