[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 3-(2-amino-2-oxoethoxy)benzoate

C20H23N3O7S — CID 55568329

IUPAC[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 3-(2-amino-2-oxoethoxy)benzoate
SMILESCC(OC(=O)c1cccc(OCC(N)=O)c1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H23N3O7S/c1-13(30-20(26)15-3-2-4-16(11-15)29-12-18(21)24)19(25)23-10-9-14-5-7-17(8-6-14)31(22,27)28/h2-8,11,13H,9-10,12H2,1H3,(H2,21,24)(H,23,25)(H2,22,27,28)
InChIKeyNOIMOHCOSVXPLF-UHFFFAOYSA-N
MW449.49 g/mol
LogP0.10
Rot. Bonds10

About [1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 3-(2-amino-2-oxoethoxy)benzoate

[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 3-(2-amino-2-oxoethoxy)benzoate (PubChem CID 55568329) has the molecular formula C20H23N3O7S and a molecular weight of 449.49 g/mol. Its IUPAC name is [1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 3-(2-amino-2-oxoethoxy)benzoate.

Molecular Properties

Compound Name[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 3-(2-amino-2-oxoethoxy)benzoate
PubChem CID55568329
Molecular FormulaC20H23N3O7S
Molecular Weight449.49 g/mol
Exact Mass449.13
IUPAC Name[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 3-(2-amino-2-oxoethoxy)benzoate
SMILESCC(OC(=O)c1cccc(OCC(N)=O)c1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H23N3O7S/c1-13(30-20(26)15-3-2-4-16(11-15)29-12-18(21)24)19(25)23-10-9-14-5-7-17(8-6-14)31(22,27)28/h2-8,11,13H,9-10,12H2,1H3,(H2,21,24)(H,23,25)(H2,22,27,28)
InChIKeyNOIMOHCOSVXPLF-UHFFFAOYSA-N
XLogP0.10
TPSA167.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[1-oxo-1-(2-phenylethylamino)propan-2-yl] 3-(2-methylpropoxy)benzoate
CID 55423738
2-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 3875350
2-(3-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 40613651
[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] (2S)-2-benzamidopropanoate
CID 55937101
3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 670722
[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(2-amino-2-oxoethoxy)benzoate
CID 55567972
[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate
CID 55937349
[(2S)-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 2-(3,4-dimethylphenyl)acetate
CID 8738290
[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 3-cyanobenzoate
CID 55420830
[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate
CID 55417944
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 3-(methanesulfonamido)benzoate
CID 18091178
[(2S)-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] (2S,3R)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate
CID 51672723

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 3-(2-amino-2-oxoethoxy)benzoate?
The IUPAC name of [1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 3-(2-amino-2-oxoethoxy)benzoate (CID 55568329) is [1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 3-(2-amino-2-oxoethoxy)benzoate.
What is the SMILES notation for [1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 3-(2-amino-2-oxoethoxy)benzoate?
The canonical SMILES for [1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 3-(2-amino-2-oxoethoxy)benzoate is CC(OC(=O)c1cccc(OCC(N)=O)c1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of [1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 3-(2-amino-2-oxoethoxy)benzoate?
The InChIKey is NOIMOHCOSVXPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O7S/c1-13(30-20(26)15-3-2-4-16(11-15)29-12-18(21)24)19(25)23-10-9-14-5-7-17(8-6-14)31(22,27)28/h2-8,11,13H,9-10,12H2,1H3,(H2,21,24)(H,23,25)(H2,22,27,28).
What are the key properties of [1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 3-(2-amino-2-oxoethoxy)benzoate?
[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 3-(2-amino-2-oxoethoxy)benzoate has a molecular weight of 449.49 g/mol, XLogP of 0.10, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 3-(2-amino-2-oxoethoxy)benzoate is sourced from PubChem (CID 55568329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).