[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-chloro-3-(methylsulfamoyl)benzoate

C15H16ClN3O6S — CID 8884864

IUPAC[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-chloro-3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)ccc1Cl
InChIInChI=1S/C15H16ClN3O6S/c1-8-6-13(19-25-8)18-14(20)9(2)24-15(21)10-4-5-11(16)12(7-10)26(22,23)17-3/h4-7,9,17H,1-3H3,(H,18,19,20)/t9-/m0/s1
InChIKeyZEACIMJSTYXTPV-VIFPVBQESA-N
MW401.83 g/mol
LogP1.73
Rot. Bonds6

About [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-chloro-3-(methylsulfamoyl)benzoate

[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-chloro-3-(methylsulfamoyl)benzoate (PubChem CID 8884864) has the molecular formula C15H16ClN3O6S and a molecular weight of 401.83 g/mol. Its IUPAC name is [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-chloro-3-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-chloro-3-(methylsulfamoyl)benzoate
PubChem CID8884864
Molecular FormulaC15H16ClN3O6S
Molecular Weight401.83 g/mol
Exact Mass401.04
IUPAC Name[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-chloro-3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)ccc1Cl
InChIInChI=1S/C15H16ClN3O6S/c1-8-6-13(19-25-8)18-14(20)9(2)24-15(21)10-4-5-11(16)12(7-10)26(22,23)17-3/h4-7,9,17H,1-3H3,(H,18,19,20)/t9-/m0/s1
InChIKeyZEACIMJSTYXTPV-VIFPVBQESA-N
XLogP1.73
TPSA127.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.83
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-chloro-3-(methylsulfamoyl)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

[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(methylsulfamoyl)benzoate
CID 26012031
[(2R)-1-anilino-1-oxopropan-2-yl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823667
[(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 8884838
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 26012027
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 17483020
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-methoxy-4-methylbenzoate
CID 40674484
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8959161
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3,5-dimethylbenzoate
CID 41013626
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 17397368
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 16600981
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-chloro-4,5-dimethoxybenzoate
CID 8952640
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(propylsulfamoyl)benzoate
CID 18226146

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-chloro-3-(methylsulfamoyl)benzoate?
The IUPAC name of [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-chloro-3-(methylsulfamoyl)benzoate (CID 8884864) is [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-chloro-3-(methylsulfamoyl)benzoate.
What is the SMILES notation for [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-chloro-3-(methylsulfamoyl)benzoate?
The canonical SMILES for [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-chloro-3-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)ccc1Cl.
What is the InChIKey of [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-chloro-3-(methylsulfamoyl)benzoate?
The InChIKey is ZEACIMJSTYXTPV-VIFPVBQESA-N. The full InChI is InChI=1S/C15H16ClN3O6S/c1-8-6-13(19-25-8)18-14(20)9(2)24-15(21)10-4-5-11(16)12(7-10)26(22,23)17-3/h4-7,9,17H,1-3H3,(H,18,19,20)/t9-/m0/s1.
What are the key properties of [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-chloro-3-(methylsulfamoyl)benzoate?
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-chloro-3-(methylsulfamoyl)benzoate has a molecular weight of 401.83 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-chloro-3-(methylsulfamoyl)benzoate is sourced from PubChem (CID 8884864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).