methyl 3-(N-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylanilino)propanoate

C21H22N2O5S — CID 24793684

IUPACmethyl 3-(N-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylanilino)propanoate
SMILESCOC(=O)CCN(c1ccccc1)S(=O)(=O)c1cc(-c2cc(C)no2)ccc1C
InChIInChI=1S/C21H22N2O5S/c1-15-9-10-17(19-13-16(2)22-28-19)14-20(15)29(25,26)23(12-11-21(24)27-3)18-7-5-4-6-8-18/h4-10,13-14H,11-12H2,1-3H3
InChIKeyJLGPPZLABMAVFP-UHFFFAOYSA-N
MW414.48 g/mol
LogP3.72
Rot. Bonds7

About methyl 3-(N-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylanilino)propanoate

methyl 3-(N-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylanilino)propanoate (PubChem CID 24793684) has the molecular formula C21H22N2O5S and a molecular weight of 414.48 g/mol. Its IUPAC name is methyl 3-(N-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylanilino)propanoate.

Molecular Properties

Compound Namemethyl 3-(N-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylanilino)propanoate
PubChem CID24793684
Molecular FormulaC21H22N2O5S
Molecular Weight414.48 g/mol
Exact Mass414.12
IUPAC Namemethyl 3-(N-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylanilino)propanoate
SMILESCOC(=O)CCN(c1ccccc1)S(=O)(=O)c1cc(-c2cc(C)no2)ccc1C
InChIInChI=1S/C21H22N2O5S/c1-15-9-10-17(19-13-16(2)22-28-19)14-20(15)29(25,26)23(12-11-21(24)27-3)18-7-5-4-6-8-18/h4-10,13-14H,11-12H2,1-3H3
InChIKeyJLGPPZLABMAVFP-UHFFFAOYSA-N
XLogP3.72
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,2-diethyl-N-(4-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936436
N-(furan-2-ylmethyl)-N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20935015
N-(3-methoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
CID 53005351
N-[3-[benzyl(propan-2-yl)amino]propyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20935787
N-(2-fluorophenyl)-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-propylbenzenesulfonamide
CID 20936125
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-propan-2-ylbenzenesulfonamide
CID 20934958
N-cyclohexyl-N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20934956
N-(3,4-dimethylphenyl)-2-methoxy-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936124
N-(3,5-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
CID 53059823
N-(2-ethoxyphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20934988
3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 53059766
N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 131900052

Frequently Asked Questions

What is the IUPAC name of methyl 3-(N-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylanilino)propanoate?
The IUPAC name of methyl 3-(N-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylanilino)propanoate (CID 24793684) is methyl 3-(N-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylanilino)propanoate.
What is the SMILES notation for methyl 3-(N-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylanilino)propanoate?
The canonical SMILES for methyl 3-(N-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylanilino)propanoate is COC(=O)CCN(c1ccccc1)S(=O)(=O)c1cc(-c2cc(C)no2)ccc1C.
What is the InChIKey of methyl 3-(N-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylanilino)propanoate?
The InChIKey is JLGPPZLABMAVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5S/c1-15-9-10-17(19-13-16(2)22-28-19)14-20(15)29(25,26)23(12-11-21(24)27-3)18-7-5-4-6-8-18/h4-10,13-14H,11-12H2,1-3H3.
What are the key properties of methyl 3-(N-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylanilino)propanoate?
methyl 3-(N-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylanilino)propanoate has a molecular weight of 414.48 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(N-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylanilino)propanoate is sourced from PubChem (CID 24793684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).