[2-(4-methoxyanilino)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate

C21H20N2O6S — CID 2499677

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
SMILESCOc1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H20N2O6S/c1-28-18-9-7-17(8-10-18)23-20(24)14-29-21(25)13-22-30(26,27)19-11-6-15-4-2-3-5-16(15)12-19/h2-12,22H,13-14H2,1H3,(H,23,24)
InChIKeyDOEQDWGLSRSTEM-UHFFFAOYSA-N
MW428.47 g/mol
LogP2.31
Rot. Bonds8

About [2-(4-methoxyanilino)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate

[2-(4-methoxyanilino)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate (PubChem CID 2499677) has the molecular formula C21H20N2O6S and a molecular weight of 428.47 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
PubChem CID2499677
Molecular FormulaC21H20N2O6S
Molecular Weight428.47 g/mol
Exact Mass428.10
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
SMILESCOc1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H20N2O6S/c1-28-18-9-7-17(8-10-18)23-20(24)14-29-21(25)13-22-30(26,27)19-11-6-15-4-2-3-5-16(15)12-19/h2-12,22H,13-14H2,1H3,(H,23,24)
InChIKeyDOEQDWGLSRSTEM-UHFFFAOYSA-N
XLogP2.31
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-{4-[(isopropylamino)sulfonyl]phenoxy}-N-1-naphthylacetamide
CID 1314065
Acetic acid 4-[acetyl-(naphthalene-2-sulfonyl)-amino]-phenyl ester
CID 1098523
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2118503
N~2~-(4-ethoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]-N~2~-(phenylsulfonyl)glycinamide
CID 2287610
[2-(2-Ethoxyanilino)-2-oxoethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 2338807
N-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 2359652
[2-Oxo-2-(4-sulfamoylanilino)ethyl] 2-naphthalen-2-yloxyacetate
CID 2465842
2-[(4-Methoxy-phenyl)-(toluene-4-sulfonyl)-amino]-N-(1-phenyl-ethyl)-acetamide
CID 3138984
[2-(Cyclopentylamino)-2-oxoethyl] 2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetate
CID 3253630
N-[3-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-yloxyacetamide
CID 3917864
2-[N-(4-Methoxyphenyl)4-methylbenzenesulfonamido]-N-(2-phenoxyethyl)acetamide
CID 4237676
[2-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4793329

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate (CID 2499677) is [2-(4-methoxyanilino)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate is COc1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate?
The InChIKey is DOEQDWGLSRSTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O6S/c1-28-18-9-7-17(8-10-18)23-20(24)14-29-21(25)13-22-30(26,27)19-11-6-15-4-2-3-5-16(15)12-19/h2-12,22H,13-14H2,1H3,(H,23,24).
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate?
[2-(4-methoxyanilino)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate has a molecular weight of 428.47 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate is sourced from PubChem (CID 2499677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).