4-bromo-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(dimethylsulfamoyl)benzamide

C20H20BrN3O4S — CID 55857285

IUPAC4-bromo-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(dimethylsulfamoyl)benzamide
SMILESCc1nc(-c2cccc(NC(=O)c3ccc(Br)c(S(=O)(=O)N(C)C)c3)c2)oc1C
InChIInChI=1S/C20H20BrN3O4S/c1-12-13(2)28-20(22-12)15-6-5-7-16(10-15)23-19(25)14-8-9-17(21)18(11-14)29(26,27)24(3)4/h5-11H,1-4H3,(H,23,25)
InChIKeyZFVKPWDQDRBRRP-UHFFFAOYSA-N
MW478.37 g/mol
LogP4.22
Rot. Bonds5

About 4-bromo-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(dimethylsulfamoyl)benzamide

4-bromo-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(dimethylsulfamoyl)benzamide (PubChem CID 55857285) has the molecular formula C20H20BrN3O4S and a molecular weight of 478.37 g/mol. Its IUPAC name is 4-bromo-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(dimethylsulfamoyl)benzamide
PubChem CID55857285
Molecular FormulaC20H20BrN3O4S
Molecular Weight478.37 g/mol
Exact Mass477.04
IUPAC Name4-bromo-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(dimethylsulfamoyl)benzamide
SMILESCc1nc(-c2cccc(NC(=O)c3ccc(Br)c(S(=O)(=O)N(C)C)c3)c2)oc1C
InChIInChI=1S/C20H20BrN3O4S/c1-12-13(2)28-20(22-12)15-6-5-7-16(10-15)23-19(25)14-8-9-17(21)18(11-14)29(26,27)24(3)4/h5-11H,1-4H3,(H,23,25)
InChIKeyZFVKPWDQDRBRRP-UHFFFAOYSA-N
XLogP4.22
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(3,5-dimethylphenyl)-3-(dimethylsulfamoyl)benzamide
CID 26409361
4,5-dibromo-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]thiophene-2-carboxamide
CID 55856132
4-bromo-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 55978304
4-chloro-3-(dimethylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 26537805
1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-propan-2-ylurea
CID 47386584
4-bromo-3-(dimethylsulfamoyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 55731590
3-[[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122077622
4-bromo-3-(dimethylsulfamoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 55700495
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]benzamide
CID 55833213
1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylpropyl)urea
CID 60577786
1-amino-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 119299864
N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(methylamino)butanamide
CID 119742561

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of 4-bromo-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(dimethylsulfamoyl)benzamide (CID 55857285) is 4-bromo-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for 4-bromo-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for 4-bromo-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(dimethylsulfamoyl)benzamide is Cc1nc(-c2cccc(NC(=O)c3ccc(Br)c(S(=O)(=O)N(C)C)c3)c2)oc1C.
What is the InChIKey of 4-bromo-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(dimethylsulfamoyl)benzamide?
The InChIKey is ZFVKPWDQDRBRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O4S/c1-12-13(2)28-20(22-12)15-6-5-7-16(10-15)23-19(25)14-8-9-17(21)18(11-14)29(26,27)24(3)4/h5-11H,1-4H3,(H,23,25).
What are the key properties of 4-bromo-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(dimethylsulfamoyl)benzamide?
4-bromo-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(dimethylsulfamoyl)benzamide has a molecular weight of 478.37 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 55857285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).