[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate

C23H23NO3S — CID 7795799

IUPAC[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
SMILESCc1ccccc1CN(C)C(=O)COC(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C23H23NO3S/c1-17-7-3-4-10-20(17)14-24(2)22(25)15-27-23(26)16-28-21-12-11-18-8-5-6-9-19(18)13-21/h3-13H,14-16H2,1-2H3
InChIKeyNQNGJRHOGTVXOU-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.44
Rot. Bonds7

About [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate

[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate (PubChem CID 7795799) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate.

Molecular Properties

Compound Name[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
PubChem CID7795799
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC Name[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
SMILESCc1ccccc1CN(C)C(=O)COC(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C23H23NO3S/c1-17-7-3-4-10-20(17)14-24(2)22(25)15-27-23(26)16-28-21-12-11-18-8-5-6-9-19(18)13-21/h3-13H,14-16H2,1-2H3
InChIKeyNQNGJRHOGTVXOU-UHFFFAOYSA-N
XLogP4.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 7843353
N-[(2-chlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide
CID 7535734
(2-amino-2-oxoethyl) 2-naphthalen-2-ylsulfanylacetate
CID 2096952
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-naphthalen-2-ylsulfanylacetate
CID 4569482
N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide
CID 7965506
phenacyl 2-naphthalen-2-ylsulfanylacetate
CID 2380984
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 7727298
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-nitrophenyl)sulfanylacetate
CID 7132228
2-(4-aminophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 61028416
[2-(methylcarbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 3398800
[2-(2-methoxyphenyl)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 8642063
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8609312

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate?
The IUPAC name of [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate (CID 7795799) is [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate.
What is the SMILES notation for [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate?
The canonical SMILES for [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate is Cc1ccccc1CN(C)C(=O)COC(=O)CSc1ccc2ccccc2c1.
What is the InChIKey of [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate?
The InChIKey is NQNGJRHOGTVXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-17-7-3-4-10-20(17)14-24(2)22(25)15-27-23(26)16-28-21-12-11-18-8-5-6-9-19(18)13-21/h3-13H,14-16H2,1-2H3.
What are the key properties of [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate?
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate has a molecular weight of 393.51 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate is sourced from PubChem (CID 7795799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).