2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-naphthalen-1-ylacetamide

C23H24N2O3S — CID 9208716

IUPAC2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-naphthalen-1-ylacetamide
SMILESCCOc1ccc(SCC(=O)N(C)CC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C23H24N2O3S/c1-3-28-18-11-13-19(14-12-18)29-16-23(27)25(2)15-22(26)24-21-10-6-8-17-7-4-5-9-20(17)21/h4-14H,3,15-16H2,1-2H3,(H,24,26)
InChIKeyVPROIWLDGLMVRR-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.43
Rot. Bonds8

About 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-naphthalen-1-ylacetamide

2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-naphthalen-1-ylacetamide (PubChem CID 9208716) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-naphthalen-1-ylacetamide
PubChem CID9208716
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-naphthalen-1-ylacetamide
SMILESCCOc1ccc(SCC(=O)N(C)CC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C23H24N2O3S/c1-3-28-18-11-13-19(14-12-18)29-16-23(27)25(2)15-22(26)24-21-10-6-8-17-7-4-5-9-20(17)21/h4-14H,3,15-16H2,1-2H3,(H,24,26)
InChIKeyVPROIWLDGLMVRR-UHFFFAOYSA-N
XLogP4.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 9428602
2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9429102
N-(2-chlorophenyl)-2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]acetamide
CID 9409895
2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide
CID 7780066
2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9429343
N-(2,5-dimethylphenyl)-2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]acetamide
CID 9041125
4-(4-ethoxyphenyl)-N-naphthalen-1-yl-4-oxobutanamide
CID 880449
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8548083
2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 7478627
2-[[2-(2-chlorophenoxy)acetyl]-methylamino]-N-naphthalen-1-ylacetamide
CID 4822554
2-[[2-(4-acetamidophenyl)sulfanylacetyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 2482106
2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2676389

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-naphthalen-1-ylacetamide (CID 9208716) is 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-naphthalen-1-ylacetamide is CCOc1ccc(SCC(=O)N(C)CC(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-naphthalen-1-ylacetamide?
The InChIKey is VPROIWLDGLMVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-3-28-18-11-13-19(14-12-18)29-16-23(27)25(2)15-22(26)24-21-10-6-8-17-7-4-5-9-20(17)21/h4-14H,3,15-16H2,1-2H3,(H,24,26).
What are the key properties of 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-naphthalen-1-ylacetamide?
2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-naphthalen-1-ylacetamide has a molecular weight of 408.52 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 9208716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).