[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate

C13H16N2O7S — CID 7740541

IUPAC[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate
SMILESCCOC(=O)NC(=O)COC(=O)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C13H16N2O7S/c1-3-21-13(18)14-11(16)8-22-12(17)9-6-4-5-7-10(9)15-23(2,19)20/h4-7,15H,3,8H2,1-2H3,(H,14,16,18)
InChIKeyJIFGCAZKRGELOL-UHFFFAOYSA-N
MW344.35 g/mol
LogP0.49
Rot. Bonds6

About [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate

[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate (PubChem CID 7740541) has the molecular formula C13H16N2O7S and a molecular weight of 344.35 g/mol. Its IUPAC name is [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate.

Molecular Properties

Compound Name[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate
PubChem CID7740541
Molecular FormulaC13H16N2O7S
Molecular Weight344.35 g/mol
Exact Mass344.07
IUPAC Name[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate
SMILESCCOC(=O)NC(=O)COC(=O)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C13H16N2O7S/c1-3-21-13(18)14-11(16)8-22-12(17)9-6-4-5-7-10(9)15-23(2,19)20/h4-7,15H,3,8H2,1-2H3,(H,14,16,18)
InChIKeyJIFGCAZKRGELOL-UHFFFAOYSA-N
XLogP0.49
TPSA127.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(butylamino)benzoate
CID 2613842
[2-(butylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 7740464
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-methylsulfanylbenzoate
CID 2540036
[2-(ethoxycarbonylamino)-2-oxoethyl] 2,3-dimethylbenzoate
CID 2572130
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 7247656
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658568
[2-(ethoxycarbonylamino)-2-oxoethyl] benzoate
CID 2516974
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 18202474
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 16519219
ethyl 2-[4-(methanesulfonamido)anilino]benzoate
CID 112989811
2-(4-ethoxyphenoxy)ethyl 2-(methanesulfonamido)benzoate
CID 24530371
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 7806906

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate?
The IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate (CID 7740541) is [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate.
What is the SMILES notation for [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate?
The canonical SMILES for [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate is CCOC(=O)NC(=O)COC(=O)c1ccccc1NS(C)(=O)=O.
What is the InChIKey of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate?
The InChIKey is JIFGCAZKRGELOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O7S/c1-3-21-13(18)14-11(16)8-22-12(17)9-6-4-5-7-10(9)15-23(2,19)20/h4-7,15H,3,8H2,1-2H3,(H,14,16,18).
What are the key properties of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate?
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate has a molecular weight of 344.35 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate is sourced from PubChem (CID 7740541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).