ethyl 2-(2,5-dimethoxy-N-naphthalen-2-ylsulfonylanilino)acetate

C22H23NO6S — CID 100531956

IUPACethyl 2-(2,5-dimethoxy-N-naphthalen-2-ylsulfonylanilino)acetate
SMILESCCOC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H23NO6S/c1-4-29-22(24)15-23(20-14-18(27-2)10-12-21(20)28-3)30(25,26)19-11-9-16-7-5-6-8-17(16)13-19/h5-14H,4,15H2,1-3H3
InChIKeyKATUCLRGYMKPGX-UHFFFAOYSA-N
MW429.49 g/mol
LogP3.62
Rot. Bonds8

About ethyl 2-(2,5-dimethoxy-N-naphthalen-2-ylsulfonylanilino)acetate

ethyl 2-(2,5-dimethoxy-N-naphthalen-2-ylsulfonylanilino)acetate (PubChem CID 100531956) has the molecular formula C22H23NO6S and a molecular weight of 429.49 g/mol. Its IUPAC name is ethyl 2-(2,5-dimethoxy-N-naphthalen-2-ylsulfonylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(2,5-dimethoxy-N-naphthalen-2-ylsulfonylanilino)acetate
PubChem CID100531956
Molecular FormulaC22H23NO6S
Molecular Weight429.49 g/mol
Exact Mass429.12
IUPAC Nameethyl 2-(2,5-dimethoxy-N-naphthalen-2-ylsulfonylanilino)acetate
SMILESCCOC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H23NO6S/c1-4-29-22(24)15-23(20-14-18(27-2)10-12-21(20)28-3)30(25,26)19-11-9-16-7-5-6-8-17(16)13-19/h5-14H,4,15H2,1-3H3
InChIKeyKATUCLRGYMKPGX-UHFFFAOYSA-N
XLogP3.62
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.49
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(4-methoxy-N-naphthalen-2-ylsulfonylanilino)acetate
CID 100531336
2-(5-chloro-2-methoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid
CID 100532770
ethyl 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-2-methylanilino)acetate
CID 100510086
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1203964
ethyl 2-(2-methoxy-5-methyl-N-(4-nitrophenyl)sulfonylanilino)acetate
CID 100527321
N-ethyl-N-(2-methoxyphenyl)naphthalene-2-sulfonamide
CID 100532213
methyl 2-(2-methyl-N-naphthalen-2-ylsulfonylanilino)acetate
CID 100530154
ethyl 2-(2-methoxy-5-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate
CID 100517701
ethyl 2-(N-naphthalen-2-ylsulfonyl-3-nitroanilino)acetate
CID 100533956
2-(N-(4-bromophenyl)sulfonyl-2,5-dimethoxyanilino)acetamide
CID 50895197
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-(2-ethoxyphenyl)acetamide
CID 2942722
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 92673487

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,5-dimethoxy-N-naphthalen-2-ylsulfonylanilino)acetate?
The IUPAC name of ethyl 2-(2,5-dimethoxy-N-naphthalen-2-ylsulfonylanilino)acetate (CID 100531956) is ethyl 2-(2,5-dimethoxy-N-naphthalen-2-ylsulfonylanilino)acetate.
What is the SMILES notation for ethyl 2-(2,5-dimethoxy-N-naphthalen-2-ylsulfonylanilino)acetate?
The canonical SMILES for ethyl 2-(2,5-dimethoxy-N-naphthalen-2-ylsulfonylanilino)acetate is CCOC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of ethyl 2-(2,5-dimethoxy-N-naphthalen-2-ylsulfonylanilino)acetate?
The InChIKey is KATUCLRGYMKPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO6S/c1-4-29-22(24)15-23(20-14-18(27-2)10-12-21(20)28-3)30(25,26)19-11-9-16-7-5-6-8-17(16)13-19/h5-14H,4,15H2,1-3H3.
What are the key properties of ethyl 2-(2,5-dimethoxy-N-naphthalen-2-ylsulfonylanilino)acetate?
ethyl 2-(2,5-dimethoxy-N-naphthalen-2-ylsulfonylanilino)acetate has a molecular weight of 429.49 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,5-dimethoxy-N-naphthalen-2-ylsulfonylanilino)acetate is sourced from PubChem (CID 100531956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).