[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate

C22H21N3O7S — CID 46668074

IUPAC[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate
SMILESCC(OC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1)C(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C22H21N3O7S/c1-15(20(26)25-22(28)24-17-8-3-2-4-9-17)32-21(27)16-7-5-11-19(13-16)33(29,30)23-14-18-10-6-12-31-18/h2-13,15,23H,14H2,1H3,(H2,24,25,26,28)
InChIKeyMMZAWLHLWVNKNA-UHFFFAOYSA-N
MW471.49 g/mol
LogP2.65
Rot. Bonds8

About [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate

[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate (PubChem CID 46668074) has the molecular formula C22H21N3O7S and a molecular weight of 471.49 g/mol. Its IUPAC name is [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate
PubChem CID46668074
Molecular FormulaC22H21N3O7S
Molecular Weight471.49 g/mol
Exact Mass471.11
IUPAC Name[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate
SMILESCC(OC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1)C(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C22H21N3O7S/c1-15(20(26)25-22(28)24-17-8-3-2-4-9-17)32-21(27)16-7-5-11-19(13-16)33(29,30)23-14-18-10-6-12-31-18/h2-13,15,23H,14H2,1H3,(H2,24,25,26,28)
InChIKeyMMZAWLHLWVNKNA-UHFFFAOYSA-N
XLogP2.65
TPSA143.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-(prop-2-ynylsulfamoyl)benzoate
CID 55480575
(1-anilino-1-oxopropan-2-yl) 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 4791564
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate
CID 7976489
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate
CID 55467793
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2098581
[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 46668615
3-(furan-2-ylmethylsulfamoyl)benzoic acid
CID 972732
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86934875
[(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 41297262
3-(furan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 43006795
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2550072
3-oxobutan-2-yl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 45353023

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate (CID 46668074) is [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate is CC(OC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1)C(=O)NC(=O)Nc1ccccc1.
What is the InChIKey of [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate?
The InChIKey is MMZAWLHLWVNKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O7S/c1-15(20(26)25-22(28)24-17-8-3-2-4-9-17)32-21(27)16-7-5-11-19(13-16)33(29,30)23-14-18-10-6-12-31-18/h2-13,15,23H,14H2,1H3,(H2,24,25,26,28).
What are the key properties of [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate?
[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate has a molecular weight of 471.49 g/mol, XLogP of 2.65, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 46668074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).