propyl 2-[6-[(4-ethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate

C20H22N2O7S — CID 53051993

IUPACpropyl 2-[6-[(4-ethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
SMILESCCCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(OCC)cc3)ccc21
InChIInChI=1S/C20H22N2O7S/c1-3-11-28-19(23)13-22-17-10-9-16(12-18(17)29-20(22)24)30(25,26)21-14-5-7-15(8-6-14)27-4-2/h5-10,12,21H,3-4,11,13H2,1-2H3
InChIKeyMZTFJNCWFPYKPC-UHFFFAOYSA-N
MW434.47 g/mol
LogP2.75
Rot. Bonds9

About propyl 2-[6-[(4-ethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate

propyl 2-[6-[(4-ethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate (PubChem CID 53051993) has the molecular formula C20H22N2O7S and a molecular weight of 434.47 g/mol. Its IUPAC name is propyl 2-[6-[(4-ethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate.

Molecular Properties

Compound Namepropyl 2-[6-[(4-ethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
PubChem CID53051993
Molecular FormulaC20H22N2O7S
Molecular Weight434.47 g/mol
Exact Mass434.11
IUPAC Namepropyl 2-[6-[(4-ethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
SMILESCCCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(OCC)cc3)ccc21
InChIInChI=1S/C20H22N2O7S/c1-3-11-28-19(23)13-22-17-10-9-16(12-18(17)29-20(22)24)30(25,26)21-14-5-7-15(8-6-14)27-4-2/h5-10,12,21H,3-4,11,13H2,1-2H3
InChIKeyMZTFJNCWFPYKPC-UHFFFAOYSA-N
XLogP2.75
TPSA116.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

propyl 2-[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53052022
propyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051968
methyl 2-[6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051829
methyl 2-[2-oxo-6-[[4-(trifluoromethoxy)phenyl]sulfamoyl]-1,3-benzoxazol-3-yl]acetate
CID 53051912
ethyl 2-[6-[(2,4-dimethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 20866117
ethyl 2-[6-[(2,4-difluorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 126457215
methyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051808
propyl 2-[6-(4-cyclohexylpiperazin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051998
propyl 2-[6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53052002
methyl 2-[6-[(5-methyl-2-pyridinyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051804
methyl 2-[6-[(2,5-difluorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051796
methyl 2-[6-[(4-chloro-2-fluorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051904

Frequently Asked Questions

What is the IUPAC name of propyl 2-[6-[(4-ethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate?
The IUPAC name of propyl 2-[6-[(4-ethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate (CID 53051993) is propyl 2-[6-[(4-ethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate.
What is the SMILES notation for propyl 2-[6-[(4-ethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate?
The canonical SMILES for propyl 2-[6-[(4-ethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate is CCCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(OCC)cc3)ccc21.
What is the InChIKey of propyl 2-[6-[(4-ethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate?
The InChIKey is MZTFJNCWFPYKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O7S/c1-3-11-28-19(23)13-22-17-10-9-16(12-18(17)29-20(22)24)30(25,26)21-14-5-7-15(8-6-14)27-4-2/h5-10,12,21H,3-4,11,13H2,1-2H3.
What are the key properties of propyl 2-[6-[(4-ethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate?
propyl 2-[6-[(4-ethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate has a molecular weight of 434.47 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[6-[(4-ethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate is sourced from PubChem (CID 53051993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).