[(2S)-1-(methylamino)-1-oxopropan-2-yl] 3-[(2,4-dimethylphenyl)sulfamoyl]benzoate

C19H22N2O5S — CID 9068187

IUPAC[(2S)-1-(methylamino)-1-oxopropan-2-yl] 3-[(2,4-dimethylphenyl)sulfamoyl]benzoate
SMILESCNC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C19H22N2O5S/c1-12-8-9-17(13(2)10-12)21-27(24,25)16-7-5-6-15(11-16)19(23)26-14(3)18(22)20-4/h5-11,14,21H,1-4H3,(H,20,22)/t14-/m0/s1
InChIKeyNZQIAEDTJHRKJZ-AWEZNQCLSA-N
MW390.46 g/mol
LogP2.40
Rot. Bonds6

About [(2S)-1-(methylamino)-1-oxopropan-2-yl] 3-[(2,4-dimethylphenyl)sulfamoyl]benzoate

[(2S)-1-(methylamino)-1-oxopropan-2-yl] 3-[(2,4-dimethylphenyl)sulfamoyl]benzoate (PubChem CID 9068187) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is [(2S)-1-(methylamino)-1-oxopropan-2-yl] 3-[(2,4-dimethylphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[(2S)-1-(methylamino)-1-oxopropan-2-yl] 3-[(2,4-dimethylphenyl)sulfamoyl]benzoate
PubChem CID9068187
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name[(2S)-1-(methylamino)-1-oxopropan-2-yl] 3-[(2,4-dimethylphenyl)sulfamoyl]benzoate
SMILESCNC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C19H22N2O5S/c1-12-8-9-17(13(2)10-12)21-27(24,25)16-7-5-6-15(11-16)19(23)26-14(3)18(22)20-4/h5-11,14,21H,1-4H3,(H,20,22)/t14-/m0/s1
InChIKeyNZQIAEDTJHRKJZ-AWEZNQCLSA-N
XLogP2.40
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-(methylamino)-1-oxopropan-2-yl] 3-[(2,4-dimethylphenyl)sulfamoyl]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

3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065728
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-[(4-methylphenyl)sulfamoyl]benzoate
CID 42997588
[(2S)-1-amino-1-oxopropan-2-yl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 7744890
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 3-[(4-methylphenyl)sulfamoyl]benzoate
CID 24587991
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-[(3-chlorophenyl)sulfamoyl]benzoate
CID 43001109
[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 55315584
3-[(2,4-dimethylphenyl)sulfamoyl]-N-propylbenzamide
CID 109062045
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 109065763
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 42977693
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 3-(methylsulfamoyl)benzoate
CID 2605664
propan-2-yl 3-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 35468470

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(methylamino)-1-oxopropan-2-yl] 3-[(2,4-dimethylphenyl)sulfamoyl]benzoate?
The IUPAC name of [(2S)-1-(methylamino)-1-oxopropan-2-yl] 3-[(2,4-dimethylphenyl)sulfamoyl]benzoate (CID 9068187) is [(2S)-1-(methylamino)-1-oxopropan-2-yl] 3-[(2,4-dimethylphenyl)sulfamoyl]benzoate.
What is the SMILES notation for [(2S)-1-(methylamino)-1-oxopropan-2-yl] 3-[(2,4-dimethylphenyl)sulfamoyl]benzoate?
The canonical SMILES for [(2S)-1-(methylamino)-1-oxopropan-2-yl] 3-[(2,4-dimethylphenyl)sulfamoyl]benzoate is CNC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1.
What is the InChIKey of [(2S)-1-(methylamino)-1-oxopropan-2-yl] 3-[(2,4-dimethylphenyl)sulfamoyl]benzoate?
The InChIKey is NZQIAEDTJHRKJZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-12-8-9-17(13(2)10-12)21-27(24,25)16-7-5-6-15(11-16)19(23)26-14(3)18(22)20-4/h5-11,14,21H,1-4H3,(H,20,22)/t14-/m0/s1.
What are the key properties of [(2S)-1-(methylamino)-1-oxopropan-2-yl] 3-[(2,4-dimethylphenyl)sulfamoyl]benzoate?
[(2S)-1-(methylamino)-1-oxopropan-2-yl] 3-[(2,4-dimethylphenyl)sulfamoyl]benzoate has a molecular weight of 390.46 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(methylamino)-1-oxopropan-2-yl] 3-[(2,4-dimethylphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 9068187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).