ethyl 2-(2-methoxy-5-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate

C19H23NO5S2 — CID 100517701

IUPACethyl 2-(2-methoxy-5-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate
SMILESCCOC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C19H23NO5S2/c1-5-25-19(21)13-20(17-12-14(2)6-11-18(17)24-3)27(22,23)16-9-7-15(26-4)8-10-16/h6-12H,5,13H2,1-4H3
InChIKeyVPHKACKWXBQUDN-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.48
Rot. Bonds8

About ethyl 2-(2-methoxy-5-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate

ethyl 2-(2-methoxy-5-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate (PubChem CID 100517701) has the molecular formula C19H23NO5S2 and a molecular weight of 409.53 g/mol. Its IUPAC name is ethyl 2-(2-methoxy-5-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-methoxy-5-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate
PubChem CID100517701
Molecular FormulaC19H23NO5S2
Molecular Weight409.53 g/mol
Exact Mass409.10
IUPAC Nameethyl 2-(2-methoxy-5-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate
SMILESCCOC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C19H23NO5S2/c1-5-25-19(21)13-20(17-12-14(2)6-11-18(17)24-3)27(22,23)16-9-7-15(26-4)8-10-16/h6-12H,5,13H2,1-4H3
InChIKeyVPHKACKWXBQUDN-UHFFFAOYSA-N
XLogP3.48
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(5-chloro-2-methoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate
CID 100517631
ethyl 2-(2,4-dimethyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate
CID 100515323
ethyl 2-(2-methoxy-5-methyl-N-(4-nitrophenyl)sulfonylanilino)acetate
CID 100527321
ethyl 2-(2,4,6-trimethyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate
CID 100518788
2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetate
CID 2273005
methyl 2-(2-methoxy-N-(4-methylsulfanylphenyl)sulfonyl-5-nitroanilino)acetate
CID 100518837
ethyl 2-(2,3-dimethyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate
CID 100517214
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 2232080
ethyl 2-(N-(4-methylsulfanylphenyl)sulfonyl-2-phenylanilino)acetate
CID 100519635
ethyl 2-(4-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate
CID 95050818
N-benzyl-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30172216
ethyl 2-(2,5-dimethoxy-N-naphthalen-2-ylsulfonylanilino)acetate
CID 100531956

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxy-5-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate?
The IUPAC name of ethyl 2-(2-methoxy-5-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate (CID 100517701) is ethyl 2-(2-methoxy-5-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate.
What is the SMILES notation for ethyl 2-(2-methoxy-5-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate?
The canonical SMILES for ethyl 2-(2-methoxy-5-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate is CCOC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(SC)cc1.
What is the InChIKey of ethyl 2-(2-methoxy-5-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate?
The InChIKey is VPHKACKWXBQUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S2/c1-5-25-19(21)13-20(17-12-14(2)6-11-18(17)24-3)27(22,23)16-9-7-15(26-4)8-10-16/h6-12H,5,13H2,1-4H3.
What are the key properties of ethyl 2-(2-methoxy-5-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate?
ethyl 2-(2-methoxy-5-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate has a molecular weight of 409.53 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxy-5-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate is sourced from PubChem (CID 100517701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).