[2-(4-methoxyphenyl)-2-oxoethyl] 3-(propylsulfamoyl)benzoate

C19H21NO6S — CID 7536992

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] 3-(propylsulfamoyl)benzoate
SMILESCCCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc(OC)cc2)c1
InChIInChI=1S/C19H21NO6S/c1-3-11-20-27(23,24)17-6-4-5-15(12-17)19(22)26-13-18(21)14-7-9-16(25-2)10-8-14/h4-10,12,20H,3,11,13H2,1-2H3
InChIKeyYLJGQFGXXINAIY-UHFFFAOYSA-N
MW391.45 g/mol
LogP2.42
Rot. Bonds9

About [2-(4-methoxyphenyl)-2-oxoethyl] 3-(propylsulfamoyl)benzoate

[2-(4-methoxyphenyl)-2-oxoethyl] 3-(propylsulfamoyl)benzoate (PubChem CID 7536992) has the molecular formula C19H21NO6S and a molecular weight of 391.45 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] 3-(propylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] 3-(propylsulfamoyl)benzoate
PubChem CID7536992
Molecular FormulaC19H21NO6S
Molecular Weight391.45 g/mol
Exact Mass391.11
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] 3-(propylsulfamoyl)benzoate
SMILESCCCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc(OC)cc2)c1
InChIInChI=1S/C19H21NO6S/c1-3-11-20-27(23,24)17-6-4-5-15(12-17)19(22)26-13-18(21)14-7-9-16(25-2)10-8-14/h4-10,12,20H,3,11,13H2,1-2H3
InChIKeyYLJGQFGXXINAIY-UHFFFAOYSA-N
XLogP2.42
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(propylsulfamoyl)benzoate
CID 7536885
N-(4-methoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 109061946
[2-oxo-2-(prop-2-ynylamino)ethyl] 3-(propylsulfamoyl)benzoate
CID 9330273
[2-(4-ethylphenyl)-2-oxoethyl] 3-(prop-2-enylsulfamoyl)benzoate
CID 7973749
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(propylsulfamoyl)benzoate
CID 9330312
[2-(2-methylanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate
CID 7537038
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2103060
[2-(4-methylphenyl)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 25047077
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(methylsulfonylmethyl)benzoate
CID 8836843
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 3-(propylsulfamoyl)benzoate
CID 7537079
[2-oxo-2-(pentylamino)ethyl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 34131828
3-(propylsulfamoyl)benzoic acid
CID 2442822

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 3-(propylsulfamoyl)benzoate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 3-(propylsulfamoyl)benzoate (CID 7536992) is [2-(4-methoxyphenyl)-2-oxoethyl] 3-(propylsulfamoyl)benzoate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] 3-(propylsulfamoyl)benzoate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] 3-(propylsulfamoyl)benzoate is CCCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc(OC)cc2)c1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] 3-(propylsulfamoyl)benzoate?
The InChIKey is YLJGQFGXXINAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6S/c1-3-11-20-27(23,24)17-6-4-5-15(12-17)19(22)26-13-18(21)14-7-9-16(25-2)10-8-14/h4-10,12,20H,3,11,13H2,1-2H3.
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] 3-(propylsulfamoyl)benzoate?
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(propylsulfamoyl)benzoate has a molecular weight of 391.45 g/mol, XLogP of 2.42, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] 3-(propylsulfamoyl)benzoate is sourced from PubChem (CID 7536992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).