3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]benzamide

C20H21N3O4S — CID 55833213

IUPAC3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]benzamide
SMILESCc1cc(C(=O)Nc2cccc(-c3cnco3)c2)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C20H21N3O4S/c1-13-8-16(10-19(14(13)2)28(25,26)23(3)4)20(24)22-17-7-5-6-15(9-17)18-11-21-12-27-18/h5-12H,1-4H3,(H,22,24)
InChIKeyYCLRUQMWELGMTQ-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.46
Rot. Bonds5

About 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]benzamide

3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]benzamide (PubChem CID 55833213) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]benzamide
PubChem CID55833213
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]benzamide
SMILESCc1cc(C(=O)Nc2cccc(-c3cnco3)c2)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C20H21N3O4S/c1-13-8-16(10-19(14(13)2)28(25,26)23(3)4)20(24)22-17-7-5-6-15(9-17)18-11-21-12-27-18/h5-12H,1-4H3,(H,22,24)
InChIKeyYCLRUQMWELGMTQ-UHFFFAOYSA-N
XLogP3.46
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]benzamide
CID 47051399
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 39131564
3-(dimethylsulfamoyl)-N-(3-ethynylphenyl)-4,5-dimethylbenzamide
CID 51337793
2,4-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-oxopyran-3-carboxamide
CID 71865394
3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]but-2-enamide
CID 47353684
2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
CID 47265687
3-(dimethylsulfamoyl)-4,5-dimethyl-N-(4-methylsulfanylphenyl)benzamide
CID 42370271
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55782703
3-(dimethylsulfamoyl)-4,5-dimethyl-N-(1-methylpyrazol-3-yl)benzamide
CID 51237996
3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 26701226
N-[3-(1,3-oxazol-5-yl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 55991558
2-amino-3,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide
CID 76888066

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]benzamide (CID 55833213) is 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]benzamide is Cc1cc(C(=O)Nc2cccc(-c3cnco3)c2)cc(S(=O)(=O)N(C)C)c1C.
What is the InChIKey of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]benzamide?
The InChIKey is YCLRUQMWELGMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-13-8-16(10-19(14(13)2)28(25,26)23(3)4)20(24)22-17-7-5-6-15(9-17)18-11-21-12-27-18/h5-12H,1-4H3,(H,22,24).
What are the key properties of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]benzamide?
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]benzamide has a molecular weight of 399.47 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 55833213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).