ethyl 3-[(2-ethylsulfonylbenzoyl)amino]benzoate

C18H19NO5S — CID 51211880

IUPACethyl 3-[(2-ethylsulfonylbenzoyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2ccccc2S(=O)(=O)CC)c1
InChIInChI=1S/C18H19NO5S/c1-3-24-18(21)13-8-7-9-14(12-13)19-17(20)15-10-5-6-11-16(15)25(22,23)4-2/h5-12H,3-4H2,1-2H3,(H,19,20)
InChIKeyNTILXQPJOOCWDV-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.91
Rot. Bonds6

About ethyl 3-[(2-ethylsulfonylbenzoyl)amino]benzoate

ethyl 3-[(2-ethylsulfonylbenzoyl)amino]benzoate (PubChem CID 51211880) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is ethyl 3-[(2-ethylsulfonylbenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[(2-ethylsulfonylbenzoyl)amino]benzoate
PubChem CID51211880
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC Nameethyl 3-[(2-ethylsulfonylbenzoyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2ccccc2S(=O)(=O)CC)c1
InChIInChI=1S/C18H19NO5S/c1-3-24-18(21)13-8-7-9-14(12-13)19-17(20)15-10-5-6-11-16(15)25(22,23)4-2/h5-12H,3-4H2,1-2H3,(H,19,20)
InChIKeyNTILXQPJOOCWDV-UHFFFAOYSA-N
XLogP2.91
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylcarbamoyl)phenyl]-2-ethylsulfonylbenzamide
CID 38154380
ethyl 4-[(2-methylsulfonylbenzoyl)amino]benzoate
CID 7267042
ethyl 3-acetamidobenzoate
CID 700589
ethyl 3-[(4-tert-butylbenzoyl)amino]benzoate
CID 883989
ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate
CID 17066429
ethyl 3-[(2,4-dichlorobenzoyl)amino]benzoate
CID 769408
ethyl 3-[(5-chloro-2-hydroxybenzoyl)amino]benzoate
CID 71508678
ethyl 3-[(5-iodothiophene-3-carbonyl)amino]benzoate
CID 78949117
N-(3-acetylphenyl)-2-methylsulfonylbenzamide
CID 2522636
propyl 3-[[4-(2-oxo-2-phenylacetyl)benzoyl]amino]benzoate
CID 2787450
ethyl 3-[(4-ethoxybenzoyl)amino]benzoate
CID 836694
propyl 4-[(2-propylsulfonylbenzoyl)amino]benzoate
CID 17224802

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-ethylsulfonylbenzoyl)amino]benzoate?
The IUPAC name of ethyl 3-[(2-ethylsulfonylbenzoyl)amino]benzoate (CID 51211880) is ethyl 3-[(2-ethylsulfonylbenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 3-[(2-ethylsulfonylbenzoyl)amino]benzoate?
The canonical SMILES for ethyl 3-[(2-ethylsulfonylbenzoyl)amino]benzoate is CCOC(=O)c1cccc(NC(=O)c2ccccc2S(=O)(=O)CC)c1.
What is the InChIKey of ethyl 3-[(2-ethylsulfonylbenzoyl)amino]benzoate?
The InChIKey is NTILXQPJOOCWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-3-24-18(21)13-8-7-9-14(12-13)19-17(20)15-10-5-6-11-16(15)25(22,23)4-2/h5-12H,3-4H2,1-2H3,(H,19,20).
What are the key properties of ethyl 3-[(2-ethylsulfonylbenzoyl)amino]benzoate?
ethyl 3-[(2-ethylsulfonylbenzoyl)amino]benzoate has a molecular weight of 361.42 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-ethylsulfonylbenzoyl)amino]benzoate is sourced from PubChem (CID 51211880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).