benzyl 2-(benzamidosulfamoyl)acetate

C16H16N2O5S — CID 134581254

IUPACbenzyl 2-(benzamidosulfamoyl)acetate
SMILESO=C(CS(=O)(=O)NNC(=O)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H16N2O5S/c19-15(23-11-13-7-3-1-4-8-13)12-24(21,22)18-17-16(20)14-9-5-2-6-10-14/h1-10,18H,11-12H2,(H,17,20)
InChIKeyMUBNIFSHYSEGHB-UHFFFAOYSA-N
MW348.38 g/mol
LogP0.99
Rot. Bonds7

About benzyl 2-(benzamidosulfamoyl)acetate

benzyl 2-(benzamidosulfamoyl)acetate (PubChem CID 134581254) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is benzyl 2-(benzamidosulfamoyl)acetate.

Molecular Properties

Compound Namebenzyl 2-(benzamidosulfamoyl)acetate
PubChem CID134581254
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Namebenzyl 2-(benzamidosulfamoyl)acetate
SMILESO=C(CS(=O)(=O)NNC(=O)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H16N2O5S/c19-15(23-11-13-7-3-1-4-8-13)12-24(21,22)18-17-16(20)14-9-5-2-6-10-14/h1-10,18H,11-12H2,(H,17,20)
InChIKeyMUBNIFSHYSEGHB-UHFFFAOYSA-N
XLogP0.99
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl N-benzamidocarbamate
CID 4935848
benzyl 2-benzamidoacetate;ethane
CID 142836612
(benzylsulfonylamino)urea
CID 21225494
dibenzyl (2S)-2-benzamidobutanedioate
CID 14420333
bis[(4-phenylmethoxyphenyl)methyl] propanedioate
CID 57028067
2-[(3-oxo-3-phenylmethoxypropanoyl)amino]acetic acid
CID 69081504
benzyl 3-benzamido-4-oxopentanoate
CID 19261358
benzyl benzoate
CID 2345
benzyl 2-aminoacetate
CID 122130027
benzyl N-(2-benzamidoethyl)carbamate
CID 12715872
benzyl 2-[[3-(methanesulfonamido)benzoyl]amino]acetate
CID 30581707
(4-benzylsulfonylphenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate
CID 2960892

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(benzamidosulfamoyl)acetate?
The IUPAC name of benzyl 2-(benzamidosulfamoyl)acetate (CID 134581254) is benzyl 2-(benzamidosulfamoyl)acetate.
What is the SMILES notation for benzyl 2-(benzamidosulfamoyl)acetate?
The canonical SMILES for benzyl 2-(benzamidosulfamoyl)acetate is O=C(CS(=O)(=O)NNC(=O)c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl 2-(benzamidosulfamoyl)acetate?
The InChIKey is MUBNIFSHYSEGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c19-15(23-11-13-7-3-1-4-8-13)12-24(21,22)18-17-16(20)14-9-5-2-6-10-14/h1-10,18H,11-12H2,(H,17,20).
What are the key properties of benzyl 2-(benzamidosulfamoyl)acetate?
benzyl 2-(benzamidosulfamoyl)acetate has a molecular weight of 348.38 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(benzamidosulfamoyl)acetate is sourced from PubChem (CID 134581254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).