[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate

C18H19NO6S — CID 2363440

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCOc1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H19NO6S/c1-13-3-9-16(10-4-13)26(22,23)19-11-18(21)25-12-17(20)14-5-7-15(24-2)8-6-14/h3-10,19H,11-12H2,1-2H3
InChIKeyWHCXCYAGBURLSH-UHFFFAOYSA-N
MW377.42 g/mol
LogP1.71
Rot. Bonds8

About [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate

[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate (PubChem CID 2363440) has the molecular formula C18H19NO6S and a molecular weight of 377.42 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
PubChem CID2363440
Molecular FormulaC18H19NO6S
Molecular Weight377.42 g/mol
Exact Mass377.09
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCOc1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H19NO6S/c1-13-3-9-16(10-4-13)26(22,23)19-11-18(21)25-12-17(20)14-5-7-15(24-2)8-6-14/h3-10,19H,11-12H2,1-2H3
InChIKeyWHCXCYAGBURLSH-UHFFFAOYSA-N
XLogP1.71
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate with MolForge

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Related Compounds

N-({4'-[(4-Isobutyrylphenoxy)methyl]biphenyl-4-Yl}sulfonyl)-D-Valine
CID 11691964
(R)-2-(4''-((4-(cyclohexanecarbonyl)phenoxy)methyl)biphenyl-4-ylsulfonamido)-3-methylbutanoic acid
CID 11526826
(R)-2-(4''-((4-acetylphenoxy)methyl)biphenyl-4-ylsulfonamido)-3-methylbutanoic acid
CID 11648679
(R)-2-(4''-((4-benzoylphenoxy)methyl)biphenyl-4-ylsulfonamido)-3-methylbutanoic acid
CID 11678318
4-Methoxy-3-(morpholine-4-sulfonyl)-benzoic acid 2-oxo-2-phenyl-ethyl ester
CID 1107085
Methyl 4-[[[2-(4-methylphenoxy)acetyl]amino]sulfamoyl]benzoate
CID 1149716
4-(2-{[N-(phenylsulfonyl)glycyl]oxy}acetyl)phenyl benzoate
CID 1617983
(5-Acetyl-2-methoxyphenyl)methyl 3-(methylsulfamoyl)benzoate
CID 2399985
2-oxo-1,2-diphenylethyl N-[(4-methylphenyl)sulfonyl]glycinate
CID 2934405
(5-Acetyl-2-methoxyphenyl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 7168338
[2-(2,4-Dimethoxyphenyl)-2-oxoethyl] 3-(benzenesulfonamido)propanoate
CID 7912980
[2-(3-Bromo-4-methoxyphenyl)-2-oxoethyl] 3-(benzenesulfonamido)propanoate
CID 24687796

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate (CID 2363440) is [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate is COc1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is WHCXCYAGBURLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6S/c1-13-3-9-16(10-4-13)26(22,23)19-11-18(21)25-12-17(20)14-5-7-15(24-2)8-6-14/h3-10,19H,11-12H2,1-2H3.
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 377.42 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 2363440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).