ethyl 4-[1-(3-acetamidophenyl)ethylsulfamoyl]benzoate

C19H22N2O5S — CID 55598192

IUPACethyl 4-[1-(3-acetamidophenyl)ethylsulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NC(C)c2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C19H22N2O5S/c1-4-26-19(23)15-8-10-18(11-9-15)27(24,25)21-13(2)16-6-5-7-17(12-16)20-14(3)22/h5-13,21H,4H2,1-3H3,(H,20,22)
InChIKeyKQWGWKMLCYAJTL-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.86
Rot. Bonds7

About ethyl 4-[1-(3-acetamidophenyl)ethylsulfamoyl]benzoate

ethyl 4-[1-(3-acetamidophenyl)ethylsulfamoyl]benzoate (PubChem CID 55598192) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is ethyl 4-[1-(3-acetamidophenyl)ethylsulfamoyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[1-(3-acetamidophenyl)ethylsulfamoyl]benzoate
PubChem CID55598192
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Nameethyl 4-[1-(3-acetamidophenyl)ethylsulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NC(C)c2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C19H22N2O5S/c1-4-26-19(23)15-8-10-18(11-9-15)27(24,25)21-13(2)16-6-5-7-17(12-16)20-14(3)22/h5-13,21H,4H2,1-3H3,(H,20,22)
InChIKeyKQWGWKMLCYAJTL-UHFFFAOYSA-N
XLogP2.86
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[1-[4-(trifluoromethyl)phenyl]ethylsulfamoyl]benzoate
CID 46596027
ethyl 4-(3-methylbutan-2-ylsulfamoyl)benzoate
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ethyl 3-acetamidobenzoate
CID 700589
ethyl 4-(1-pyridin-2-ylethylsulfamoyl)benzoate
CID 4878822
N-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 730422
ethyl 4-[[(1S)-1-(1-benzofuran-2-yl)ethyl]sulfamoyl]benzoate
CID 9189690
N-[3-[1-(bromomethylsulfonylamino)ethyl]phenyl]acetamide
CID 83086978
methyl 4-[1-[3-(difluoromethoxy)phenyl]ethylsulfamoyl]benzoate
CID 55703531
ethyl 3-[(4-propan-2-ylphenyl)sulfonylamino]benzoate
CID 8823779
(2S,3S)-2-[(4-ethoxycarbonylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 119126274
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[3-[1-[(5-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]acetamide
CID 55627714

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(3-acetamidophenyl)ethylsulfamoyl]benzoate?
The IUPAC name of ethyl 4-[1-(3-acetamidophenyl)ethylsulfamoyl]benzoate (CID 55598192) is ethyl 4-[1-(3-acetamidophenyl)ethylsulfamoyl]benzoate.
What is the SMILES notation for ethyl 4-[1-(3-acetamidophenyl)ethylsulfamoyl]benzoate?
The canonical SMILES for ethyl 4-[1-(3-acetamidophenyl)ethylsulfamoyl]benzoate is CCOC(=O)c1ccc(S(=O)(=O)NC(C)c2cccc(NC(C)=O)c2)cc1.
What is the InChIKey of ethyl 4-[1-(3-acetamidophenyl)ethylsulfamoyl]benzoate?
The InChIKey is KQWGWKMLCYAJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-4-26-19(23)15-8-10-18(11-9-15)27(24,25)21-13(2)16-6-5-7-17(12-16)20-14(3)22/h5-13,21H,4H2,1-3H3,(H,20,22).
What are the key properties of ethyl 4-[1-(3-acetamidophenyl)ethylsulfamoyl]benzoate?
ethyl 4-[1-(3-acetamidophenyl)ethylsulfamoyl]benzoate has a molecular weight of 390.46 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(3-acetamidophenyl)ethylsulfamoyl]benzoate is sourced from PubChem (CID 55598192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).