[(2S)-1-amino-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate

C16H16N2O5S — CID 7985225

IUPAC[(2S)-1-amino-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate
SMILESC[C@H](OC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)C(N)=O
InChIInChI=1S/C16H16N2O5S/c1-11(15(17)19)23-16(20)12-7-9-14(10-8-12)24(21,22)18-13-5-3-2-4-6-13/h2-11,18H,1H3,(H2,17,19)/t11-/m0/s1
InChIKeyFBEKWFPCVFGTGG-NSHDSACASA-N
MW348.38 g/mol
LogP1.52
Rot. Bonds6

About [(2S)-1-amino-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate

[(2S)-1-amino-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate (PubChem CID 7985225) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is [(2S)-1-amino-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate.

Molecular Properties

Compound Name[(2S)-1-amino-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate
PubChem CID7985225
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Name[(2S)-1-amino-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate
SMILESC[C@H](OC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)C(N)=O
InChIInChI=1S/C16H16N2O5S/c1-11(15(17)19)23-16(20)12-7-9-14(10-8-12)24(21,22)18-13-5-3-2-4-6-13/h2-11,18H,1H3,(H2,17,19)/t11-/m0/s1
InChIKeyFBEKWFPCVFGTGG-NSHDSACASA-N
XLogP1.52
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-amino-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate
CID 7247776
[(2S)-1-amino-1-oxopropan-2-yl] 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoate
CID 41117958
bis(1-amino-1-oxopropan-2-yl) benzene-1,4-dicarboxylate
CID 24671569
[(2S)-1-amino-1-oxopropan-2-yl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 7744890
[1-(carbamoylamino)-1-oxopropan-2-yl] 3-(benzenesulfonamido)benzoate
CID 16519856
[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate
CID 55417394
2-methylpropyl 4-(benzenesulfonamido)benzoate
CID 805921
propan-2-yl 4-[(4-acetylphenyl)sulfonylamino]benzoate
CID 7938904
(1-amino-1-oxopropan-2-yl) 4-(dimethylsulfamoyl)benzoate
CID 46789274
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-(phenylsulfamoyl)benzoate
CID 2450471
[2-oxo-2-(1-phenylethylamino)ethyl] 4-(phenylsulfamoyl)benzoate
CID 55313712
(1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 42900642

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-amino-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate?
The IUPAC name of [(2S)-1-amino-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate (CID 7985225) is [(2S)-1-amino-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate.
What is the SMILES notation for [(2S)-1-amino-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate?
The canonical SMILES for [(2S)-1-amino-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate is C[C@H](OC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)C(N)=O.
What is the InChIKey of [(2S)-1-amino-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate?
The InChIKey is FBEKWFPCVFGTGG-NSHDSACASA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-11(15(17)19)23-16(20)12-7-9-14(10-8-12)24(21,22)18-13-5-3-2-4-6-13/h2-11,18H,1H3,(H2,17,19)/t11-/m0/s1.
What are the key properties of [(2S)-1-amino-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate?
[(2S)-1-amino-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate has a molecular weight of 348.38 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-amino-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate is sourced from PubChem (CID 7985225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).