methyl 2-[[2-(4-methylsulfonylbenzoyl)oxyacetyl]amino]benzoate

C18H17NO7S — CID 2668483

IUPACmethyl 2-[[2-(4-methylsulfonylbenzoyl)oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H17NO7S/c1-25-18(22)14-5-3-4-6-15(14)19-16(20)11-26-17(21)12-7-9-13(10-8-12)27(2,23)24/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyCBXUMCKJYKCXQG-UHFFFAOYSA-N
MW391.40 g/mol
LogP1.67
Rot. Bonds6

About methyl 2-[[2-(4-methylsulfonylbenzoyl)oxyacetyl]amino]benzoate

methyl 2-[[2-(4-methylsulfonylbenzoyl)oxyacetyl]amino]benzoate (PubChem CID 2668483) has the molecular formula C18H17NO7S and a molecular weight of 391.40 g/mol. Its IUPAC name is methyl 2-[[2-(4-methylsulfonylbenzoyl)oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-methylsulfonylbenzoyl)oxyacetyl]amino]benzoate
PubChem CID2668483
Molecular FormulaC18H17NO7S
Molecular Weight391.40 g/mol
Exact Mass391.07
IUPAC Namemethyl 2-[[2-(4-methylsulfonylbenzoyl)oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H17NO7S/c1-25-18(22)14-5-3-4-6-15(14)19-16(20)11-26-17(21)12-7-9-13(10-8-12)27(2,23)24/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyCBXUMCKJYKCXQG-UHFFFAOYSA-N
XLogP1.67
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2-acetylanilino)-2-oxoethyl] 4-methylsulfonylbenzoate
CID 2670960
methyl 2-[[2-[4-(dimethylsulfamoyl)benzoyl]oxyacetyl]amino]benzoate
CID 2603679
methyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate
CID 2629462
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3,4-dimethylbenzoate
CID 2563639
methyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate
CID 7211925
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate
CID 7235533
methyl 2-[[2-(3-hydroxybenzoyl)oxyacetyl]amino]benzoate
CID 2431988
(2-methoxy-2-oxoethyl) 4-methylsulfonylbenzoate
CID 42404573
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate
CID 9452060
ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate
CID 2506632
[2-(2-acetylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557443
[2-(4-methoxyanilino)-2-oxoethyl] 4-methylsulfonylbenzoate
CID 2670499

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-methylsulfonylbenzoyl)oxyacetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(4-methylsulfonylbenzoyl)oxyacetyl]amino]benzoate (CID 2668483) is methyl 2-[[2-(4-methylsulfonylbenzoyl)oxyacetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(4-methylsulfonylbenzoyl)oxyacetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(4-methylsulfonylbenzoyl)oxyacetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of methyl 2-[[2-(4-methylsulfonylbenzoyl)oxyacetyl]amino]benzoate?
The InChIKey is CBXUMCKJYKCXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO7S/c1-25-18(22)14-5-3-4-6-15(14)19-16(20)11-26-17(21)12-7-9-13(10-8-12)27(2,23)24/h3-10H,11H2,1-2H3,(H,19,20).
What are the key properties of methyl 2-[[2-(4-methylsulfonylbenzoyl)oxyacetyl]amino]benzoate?
methyl 2-[[2-(4-methylsulfonylbenzoyl)oxyacetyl]amino]benzoate has a molecular weight of 391.40 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-methylsulfonylbenzoyl)oxyacetyl]amino]benzoate is sourced from PubChem (CID 2668483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).