ethyl 2-[[2-(methanesulfonamido)acetyl]amino]benzoate

C12H16N2O5S — CID 113001765

IUPACethyl 2-[[2-(methanesulfonamido)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CNS(C)(=O)=O
InChIInChI=1S/C12H16N2O5S/c1-3-19-12(16)9-6-4-5-7-10(9)14-11(15)8-13-20(2,17)18/h4-7,13H,3,8H2,1-2H3,(H,14,15)
InChIKeyXDHMOZFKYCZJFA-UHFFFAOYSA-N
MW300.34 g/mol
LogP0.35
Rot. Bonds6

About ethyl 2-[[2-(methanesulfonamido)acetyl]amino]benzoate

ethyl 2-[[2-(methanesulfonamido)acetyl]amino]benzoate (PubChem CID 113001765) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is ethyl 2-[[2-(methanesulfonamido)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(methanesulfonamido)acetyl]amino]benzoate
PubChem CID113001765
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC Nameethyl 2-[[2-(methanesulfonamido)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CNS(C)(=O)=O
InChIInChI=1S/C12H16N2O5S/c1-3-19-12(16)9-6-4-5-7-10(9)14-11(15)8-13-20(2,17)18/h4-7,13H,3,8H2,1-2H3,(H,14,15)
InChIKeyXDHMOZFKYCZJFA-UHFFFAOYSA-N
XLogP0.35
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(methanesulfonamido)acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(methanesulfonamido)acetyl]amino]benzoate (CID 113001765) is ethyl 2-[[2-(methanesulfonamido)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(methanesulfonamido)acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(methanesulfonamido)acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)CNS(C)(=O)=O.
What is the InChIKey of ethyl 2-[[2-(methanesulfonamido)acetyl]amino]benzoate?
The InChIKey is XDHMOZFKYCZJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S/c1-3-19-12(16)9-6-4-5-7-10(9)14-11(15)8-13-20(2,17)18/h4-7,13H,3,8H2,1-2H3,(H,14,15).
What are the key properties of ethyl 2-[[2-(methanesulfonamido)acetyl]amino]benzoate?
ethyl 2-[[2-(methanesulfonamido)acetyl]amino]benzoate has a molecular weight of 300.34 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(methanesulfonamido)acetyl]amino]benzoate is sourced from PubChem (CID 113001765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).