ethyl 2-(4-methoxy-N-naphthalen-2-ylsulfonylanilino)acetate

C21H21NO5S — CID 100531336

IUPACethyl 2-(4-methoxy-N-naphthalen-2-ylsulfonylanilino)acetate
SMILESCCOC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H21NO5S/c1-3-27-21(23)15-22(18-9-11-19(26-2)12-10-18)28(24,25)20-13-8-16-6-4-5-7-17(16)14-20/h4-14H,3,15H2,1-2H3
InChIKeyLIFUSNKRLNKFNW-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.61
Rot. Bonds7

About ethyl 2-(4-methoxy-N-naphthalen-2-ylsulfonylanilino)acetate

ethyl 2-(4-methoxy-N-naphthalen-2-ylsulfonylanilino)acetate (PubChem CID 100531336) has the molecular formula C21H21NO5S and a molecular weight of 399.47 g/mol. Its IUPAC name is ethyl 2-(4-methoxy-N-naphthalen-2-ylsulfonylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-methoxy-N-naphthalen-2-ylsulfonylanilino)acetate
PubChem CID100531336
Molecular FormulaC21H21NO5S
Molecular Weight399.47 g/mol
Exact Mass399.11
IUPAC Nameethyl 2-(4-methoxy-N-naphthalen-2-ylsulfonylanilino)acetate
SMILESCCOC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H21NO5S/c1-3-27-21(23)15-22(18-9-11-19(26-2)12-10-18)28(24,25)20-13-8-16-6-4-5-7-17(16)14-20/h4-14H,3,15H2,1-2H3
InChIKeyLIFUSNKRLNKFNW-UHFFFAOYSA-N
XLogP3.61
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2,5-dimethoxy-N-naphthalen-2-ylsulfonylanilino)acetate
CID 100531956
ethyl 2-[4-(cyanomethyl)-N-naphthalen-2-ylsulfonylanilino]acetate
CID 100533244
ethyl 2-(N-naphthalen-2-ylsulfonyl-3-nitroanilino)acetate
CID 100533956
methyl 2-(3,4-dimethyl-N-naphthalen-2-ylsulfonylanilino)acetate
CID 100530643
methyl 2-(3-chloro-4-methyl-N-naphthalen-2-ylsulfonylanilino)acetate
CID 100533138
ethyl 2-(N-(4-fluorophenyl)sulfonyl-3-methoxyanilino)acetate
CID 50891577
ethyl 2-(N-(4-nitrophenyl)sulfonylanilino)acetate
CID 100524720
ethyl (E)-2-[(4-methoxy-N-(4-methylphenyl)sulfonylanilino)methyl]but-2-enoate
CID 53381876
ethyl 2-(N-(3-fluoro-4-methoxyphenyl)sulfonyl-3,4-dimethylanilino)acetate
CID 100541877
ethyl 2-[benzenesulfonyl(quinolin-6-yl)amino]acetate
CID 54114997
ethyl 2-(N-(3-nitrophenyl)sulfonyl-4-propan-2-ylanilino)acetate
CID 50895844
ethyl 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50890829

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxy-N-naphthalen-2-ylsulfonylanilino)acetate?
The IUPAC name of ethyl 2-(4-methoxy-N-naphthalen-2-ylsulfonylanilino)acetate (CID 100531336) is ethyl 2-(4-methoxy-N-naphthalen-2-ylsulfonylanilino)acetate.
What is the SMILES notation for ethyl 2-(4-methoxy-N-naphthalen-2-ylsulfonylanilino)acetate?
The canonical SMILES for ethyl 2-(4-methoxy-N-naphthalen-2-ylsulfonylanilino)acetate is CCOC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of ethyl 2-(4-methoxy-N-naphthalen-2-ylsulfonylanilino)acetate?
The InChIKey is LIFUSNKRLNKFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5S/c1-3-27-21(23)15-22(18-9-11-19(26-2)12-10-18)28(24,25)20-13-8-16-6-4-5-7-17(16)14-20/h4-14H,3,15H2,1-2H3.
What are the key properties of ethyl 2-(4-methoxy-N-naphthalen-2-ylsulfonylanilino)acetate?
ethyl 2-(4-methoxy-N-naphthalen-2-ylsulfonylanilino)acetate has a molecular weight of 399.47 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxy-N-naphthalen-2-ylsulfonylanilino)acetate is sourced from PubChem (CID 100531336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).