methyl 2-[2-oxo-6-[[(2S)-2-phenylpropyl]sulfamoyl]-1,3-benzoxazol-3-yl]acetate

C19H20N2O6S — CID 95063550

IUPACmethyl 2-[2-oxo-6-[[(2S)-2-phenylpropyl]sulfamoyl]-1,3-benzoxazol-3-yl]acetate
SMILESCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NC[C@@H](C)c3ccccc3)ccc21
InChIInChI=1S/C19H20N2O6S/c1-13(14-6-4-3-5-7-14)11-20-28(24,25)15-8-9-16-17(10-15)27-19(23)21(16)12-18(22)26-2/h3-10,13,20H,11-12H2,1-2H3/t13-/m1/s1
InChIKeyPRPBCYJKJCQMBT-CYBMUJFWSA-N
MW404.44 g/mol
LogP1.85
Rot. Bonds7

About methyl 2-[2-oxo-6-[[(2S)-2-phenylpropyl]sulfamoyl]-1,3-benzoxazol-3-yl]acetate

methyl 2-[2-oxo-6-[[(2S)-2-phenylpropyl]sulfamoyl]-1,3-benzoxazol-3-yl]acetate (PubChem CID 95063550) has the molecular formula C19H20N2O6S and a molecular weight of 404.44 g/mol. Its IUPAC name is methyl 2-[2-oxo-6-[[(2S)-2-phenylpropyl]sulfamoyl]-1,3-benzoxazol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-oxo-6-[[(2S)-2-phenylpropyl]sulfamoyl]-1,3-benzoxazol-3-yl]acetate
PubChem CID95063550
Molecular FormulaC19H20N2O6S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC Namemethyl 2-[2-oxo-6-[[(2S)-2-phenylpropyl]sulfamoyl]-1,3-benzoxazol-3-yl]acetate
SMILESCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NC[C@@H](C)c3ccccc3)ccc21
InChIInChI=1S/C19H20N2O6S/c1-13(14-6-4-3-5-7-14)11-20-28(24,25)15-8-9-16-17(10-15)27-19(23)21(16)12-18(22)26-2/h3-10,13,20H,11-12H2,1-2H3/t13-/m1/s1
InChIKeyPRPBCYJKJCQMBT-CYBMUJFWSA-N
XLogP1.85
TPSA107.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[2-oxo-6-[[(2S)-2-phenylpropyl]sulfamoyl]-1,3-benzoxazol-3-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[6-[(5-methylfuran-2-yl)methylsulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051909
methyl 2-[6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051829
methyl 2-[2-oxo-6-(pyridin-3-ylsulfamoyl)-1,3-benzoxazol-3-yl]acetate
CID 53051805
methyl 2-[2-oxo-6-[[4-(trifluoromethoxy)phenyl]sulfamoyl]-1,3-benzoxazol-3-yl]acetate
CID 53051912
methyl 2-[6-[(5-methyl-2-pyridinyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051804
methyl 2-[6-[(4-chloro-2-fluorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051904
methyl 2-[6-(4-methylpiperazin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051867
N-benzhydryl-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648304
methyl 2-[6-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylsulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 95063559
2-[6-(benzylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3,5-dimethylphenyl)acetamide
CID 20879581
3-bromo-4-methoxy-N-[(2R)-2-phenylpropyl]benzenesulfonamide
CID 32945181
methyl 2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051836

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-oxo-6-[[(2S)-2-phenylpropyl]sulfamoyl]-1,3-benzoxazol-3-yl]acetate?
The IUPAC name of methyl 2-[2-oxo-6-[[(2S)-2-phenylpropyl]sulfamoyl]-1,3-benzoxazol-3-yl]acetate (CID 95063550) is methyl 2-[2-oxo-6-[[(2S)-2-phenylpropyl]sulfamoyl]-1,3-benzoxazol-3-yl]acetate.
What is the SMILES notation for methyl 2-[2-oxo-6-[[(2S)-2-phenylpropyl]sulfamoyl]-1,3-benzoxazol-3-yl]acetate?
The canonical SMILES for methyl 2-[2-oxo-6-[[(2S)-2-phenylpropyl]sulfamoyl]-1,3-benzoxazol-3-yl]acetate is COC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NC[C@@H](C)c3ccccc3)ccc21.
What is the InChIKey of methyl 2-[2-oxo-6-[[(2S)-2-phenylpropyl]sulfamoyl]-1,3-benzoxazol-3-yl]acetate?
The InChIKey is PRPBCYJKJCQMBT-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20N2O6S/c1-13(14-6-4-3-5-7-14)11-20-28(24,25)15-8-9-16-17(10-15)27-19(23)21(16)12-18(22)26-2/h3-10,13,20H,11-12H2,1-2H3/t13-/m1/s1.
What are the key properties of methyl 2-[2-oxo-6-[[(2S)-2-phenylpropyl]sulfamoyl]-1,3-benzoxazol-3-yl]acetate?
methyl 2-[2-oxo-6-[[(2S)-2-phenylpropyl]sulfamoyl]-1,3-benzoxazol-3-yl]acetate has a molecular weight of 404.44 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-oxo-6-[[(2S)-2-phenylpropyl]sulfamoyl]-1,3-benzoxazol-3-yl]acetate is sourced from PubChem (CID 95063550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).