(2-amino-2-oxoethyl) 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate

C14H18N2O6S — CID 7976955

IUPAC(2-amino-2-oxoethyl) 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
SMILESNC(=O)COC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1
InChIInChI=1S/C14H18N2O6S/c15-13(17)9-22-14(18)10-3-1-5-12(7-10)23(19,20)16-8-11-4-2-6-21-11/h1,3,5,7,11,16H,2,4,6,8-9H2,(H2,15,17)/t11-/m1/s1
InChIKeyQXKNLKSQEUYVQN-LLVKDONJSA-N
MW342.37 g/mol
LogP-0.21
Rot. Bonds7

About (2-amino-2-oxoethyl) 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate

(2-amino-2-oxoethyl) 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate (PubChem CID 7976955) has the molecular formula C14H18N2O6S and a molecular weight of 342.37 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
PubChem CID7976955
Molecular FormulaC14H18N2O6S
Molecular Weight342.37 g/mol
Exact Mass342.09
IUPAC Name(2-amino-2-oxoethyl) 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
SMILESNC(=O)COC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1
InChIInChI=1S/C14H18N2O6S/c15-13(17)9-22-14(18)10-3-1-5-12(7-10)23(19,20)16-8-11-4-2-6-21-11/h1,3,5,7,11,16H,2,4,6,8-9H2,(H2,15,17)/t11-/m1/s1
InChIKeyQXKNLKSQEUYVQN-LLVKDONJSA-N
XLogP-0.21
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(cyclopentylamino)-2-oxoethyl] 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976970
[(2S)-1-amino-1-oxopropan-2-yl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976905
(4-methylphenyl)methyl 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976761
[(1R)-1-cyanoethyl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976917
N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42910274
2-[2-methyl-4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide
CID 102551738
N-(oxolan-2-ylmethyl)-3-[3-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylbenzenesulfonamide
CID 20967101
N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063903
3-(azepane-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43002594
N-benzyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51160928
N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24539464
3-bromo-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 31481223

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate?
The IUPAC name of (2-amino-2-oxoethyl) 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate (CID 7976955) is (2-amino-2-oxoethyl) 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate?
The canonical SMILES for (2-amino-2-oxoethyl) 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate is NC(=O)COC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1.
What is the InChIKey of (2-amino-2-oxoethyl) 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate?
The InChIKey is QXKNLKSQEUYVQN-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N2O6S/c15-13(17)9-22-14(18)10-3-1-5-12(7-10)23(19,20)16-8-11-4-2-6-21-11/h1,3,5,7,11,16H,2,4,6,8-9H2,(H2,15,17)/t11-/m1/s1.
What are the key properties of (2-amino-2-oxoethyl) 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate?
(2-amino-2-oxoethyl) 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate has a molecular weight of 342.37 g/mol, XLogP of -0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate is sourced from PubChem (CID 7976955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).