ethyl 4-[(2-methylsulfonylbenzoyl)amino]benzoate

C17H17NO5S — CID 7267042

IUPACethyl 4-[(2-methylsulfonylbenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1
InChIInChI=1S/C17H17NO5S/c1-3-23-17(20)12-8-10-13(11-9-12)18-16(19)14-6-4-5-7-15(14)24(2,21)22/h4-11H,3H2,1-2H3,(H,18,19)
InChIKeyLMXABSSBXHATCQ-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.52
Rot. Bonds5

About ethyl 4-[(2-methylsulfonylbenzoyl)amino]benzoate

ethyl 4-[(2-methylsulfonylbenzoyl)amino]benzoate (PubChem CID 7267042) has the molecular formula C17H17NO5S and a molecular weight of 347.39 g/mol. Its IUPAC name is ethyl 4-[(2-methylsulfonylbenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-methylsulfonylbenzoyl)amino]benzoate
PubChem CID7267042
Molecular FormulaC17H17NO5S
Molecular Weight347.39 g/mol
Exact Mass347.08
IUPAC Nameethyl 4-[(2-methylsulfonylbenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1
InChIInChI=1S/C17H17NO5S/c1-3-23-17(20)12-8-10-13(11-9-12)18-16(19)14-6-4-5-7-15(14)24(2,21)22/h4-11H,3H2,1-2H3,(H,18,19)
InChIKeyLMXABSSBXHATCQ-UHFFFAOYSA-N
XLogP2.52
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(2-hydroxybenzoyl)amino]benzoate
CID 5274015
propyl 4-[(2-propylsulfonylbenzoyl)amino]benzoate
CID 17224802
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CID 8701377
N-[4-(2-methylpropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide
CID 87026481
ethyl 4-[(2-propylsulfanylbenzoyl)amino]benzoate
CID 17310365
ethyl 4-[(2-propan-2-yloxybenzoyl)amino]benzoate
CID 17045515
ethyl 4,5-dimethyl-2-[(2-methylsulfonylbenzoyl)amino]thiophene-3-carboxylate
CID 7565512
ethyl 3-[(2-ethylsulfonylbenzoyl)amino]benzoate
CID 51211880
ethyl 4-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoate
CID 1303909
ethyl 4-[(2-methyl-1H-pyrrole-3-carbonyl)amino]benzoate
CID 110695822
N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide
CID 18132726
[4-(phenylcarbamoyl)phenyl]methyl 2-methylsulfonylbenzoate
CID 7724467

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methylsulfonylbenzoyl)amino]benzoate?
The IUPAC name of ethyl 4-[(2-methylsulfonylbenzoyl)amino]benzoate (CID 7267042) is ethyl 4-[(2-methylsulfonylbenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(2-methylsulfonylbenzoyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(2-methylsulfonylbenzoyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1.
What is the InChIKey of ethyl 4-[(2-methylsulfonylbenzoyl)amino]benzoate?
The InChIKey is LMXABSSBXHATCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5S/c1-3-23-17(20)12-8-10-13(11-9-12)18-16(19)14-6-4-5-7-15(14)24(2,21)22/h4-11H,3H2,1-2H3,(H,18,19).
What are the key properties of ethyl 4-[(2-methylsulfonylbenzoyl)amino]benzoate?
ethyl 4-[(2-methylsulfonylbenzoyl)amino]benzoate has a molecular weight of 347.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-methylsulfonylbenzoyl)amino]benzoate is sourced from PubChem (CID 7267042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).