methyl 3-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate

C19H22N2O6S — CID 1311422

IUPACmethyl 3-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)c1
InChIInChI=1S/C19H22N2O6S/c1-13-9-10-14(19(23)27-3)11-15(13)20-18(22)12-21(28(4,24)25)16-7-5-6-8-17(16)26-2/h5-11H,12H2,1-4H3,(H,20,22)
InChIKeyCWOSAGNYOHDYID-UHFFFAOYSA-N
MW406.46 g/mol
LogP2.19
Rot. Bonds7

About methyl 3-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate

methyl 3-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate (PubChem CID 1311422) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is methyl 3-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate
PubChem CID1311422
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC Namemethyl 3-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)c1
InChIInChI=1S/C19H22N2O6S/c1-13-9-10-14(19(23)27-3)11-15(13)20-18(22)12-21(28(4,24)25)16-7-5-6-8-17(16)26-2/h5-11H,12H2,1-4H3,(H,20,22)
InChIKeyCWOSAGNYOHDYID-UHFFFAOYSA-N
XLogP2.19
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethylphenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 1320489
methyl 3-[[2-(3-acetyl-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate
CID 2231397
methyl 3-[[2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetyl]amino]-4-methylbenzoate
CID 30266507
dimethyl 2-[[2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzene-1,4-dicarboxylate
CID 21372341
N-(2,5-dimethylphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 998401
dimethyl 2-[[2-(2,4-dimethyl-N-methylsulfonylanilino)acetyl]amino]benzene-1,4-dicarboxylate
CID 126256600
methyl 3-[[2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)acetyl]amino]-4-methylbenzoate
CID 21231716
dimethyl 2-[[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]amino]benzene-1,4-dicarboxylate
CID 126276858
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 51344748
2-(2-methoxy-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1333886
dimethyl 2-[[2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetyl]amino]benzene-1,4-dicarboxylate
CID 126414254
2-(2-methoxy-N-methylsulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 1334036

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate?
The IUPAC name of methyl 3-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate (CID 1311422) is methyl 3-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate is COC(=O)c1ccc(C)c(NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)c1.
What is the InChIKey of methyl 3-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate?
The InChIKey is CWOSAGNYOHDYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-13-9-10-14(19(23)27-3)11-15(13)20-18(22)12-21(28(4,24)25)16-7-5-6-8-17(16)26-2/h5-11H,12H2,1-4H3,(H,20,22).
What are the key properties of methyl 3-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate?
methyl 3-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate has a molecular weight of 406.46 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate is sourced from PubChem (CID 1311422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).