[2-oxo-2-(1-phenylethylamino)ethyl] 4-(phenylsulfamoyl)benzoate

C23H22N2O5S — CID 55313712

IUPAC[2-oxo-2-(1-phenylethylamino)ethyl] 4-(phenylsulfamoyl)benzoate
SMILESCC(NC(=O)COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H22N2O5S/c1-17(18-8-4-2-5-9-18)24-22(26)16-30-23(27)19-12-14-21(15-13-19)31(28,29)25-20-10-6-3-7-11-20/h2-15,17,25H,16H2,1H3,(H,24,26)
InChIKeyTYPYEBYORRCSDW-UHFFFAOYSA-N
MW438.51 g/mol
LogP3.52
Rot. Bonds8

About [2-oxo-2-(1-phenylethylamino)ethyl] 4-(phenylsulfamoyl)benzoate

[2-oxo-2-(1-phenylethylamino)ethyl] 4-(phenylsulfamoyl)benzoate (PubChem CID 55313712) has the molecular formula C23H22N2O5S and a molecular weight of 438.51 g/mol. Its IUPAC name is [2-oxo-2-(1-phenylethylamino)ethyl] 4-(phenylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(1-phenylethylamino)ethyl] 4-(phenylsulfamoyl)benzoate
PubChem CID55313712
Molecular FormulaC23H22N2O5S
Molecular Weight438.51 g/mol
Exact Mass438.12
IUPAC Name[2-oxo-2-(1-phenylethylamino)ethyl] 4-(phenylsulfamoyl)benzoate
SMILESCC(NC(=O)COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H22N2O5S/c1-17(18-8-4-2-5-9-18)24-22(26)16-30-23(27)19-12-14-21(15-13-19)31(28,29)25-20-10-6-3-7-11-20/h2-15,17,25H,16H2,1H3,(H,24,26)
InChIKeyTYPYEBYORRCSDW-UHFFFAOYSA-N
XLogP3.52
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(1-phenylethylamino)ethyl] 4-(ethylsulfamoyl)benzoate
CID 18085655
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-(phenylsulfamoyl)benzoate
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[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(2-cyanoethylsulfamoyl)benzoate
CID 8509036
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(diethylsulfamoyl)benzoate
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[2-oxo-2-(1-phenylethylamino)ethyl] 4-(azepan-1-ylsulfonyl)benzoate
CID 4265930
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-acetamidobenzoate
CID 7654320
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-bromobenzoate
CID 2625805
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate
CID 2512645
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 124551632
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] pyridine-4-carboxylate
CID 7783953
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-(benzenesulfonamido)benzoate
CID 7247748
[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 4-(phenylsulfamoyl)benzoate?
The IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 4-(phenylsulfamoyl)benzoate (CID 55313712) is [2-oxo-2-(1-phenylethylamino)ethyl] 4-(phenylsulfamoyl)benzoate.
What is the SMILES notation for [2-oxo-2-(1-phenylethylamino)ethyl] 4-(phenylsulfamoyl)benzoate?
The canonical SMILES for [2-oxo-2-(1-phenylethylamino)ethyl] 4-(phenylsulfamoyl)benzoate is CC(NC(=O)COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(1-phenylethylamino)ethyl] 4-(phenylsulfamoyl)benzoate?
The InChIKey is TYPYEBYORRCSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5S/c1-17(18-8-4-2-5-9-18)24-22(26)16-30-23(27)19-12-14-21(15-13-19)31(28,29)25-20-10-6-3-7-11-20/h2-15,17,25H,16H2,1H3,(H,24,26).
What are the key properties of [2-oxo-2-(1-phenylethylamino)ethyl] 4-(phenylsulfamoyl)benzoate?
[2-oxo-2-(1-phenylethylamino)ethyl] 4-(phenylsulfamoyl)benzoate has a molecular weight of 438.51 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1-phenylethylamino)ethyl] 4-(phenylsulfamoyl)benzoate is sourced from PubChem (CID 55313712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).