N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

C20H20BrN3O4S — CID 17499967

IUPACN-[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1ccc(Br)c(NS(=O)(=O)c2cccc(NC(=O)Cc3c(C)noc3C)c2)c1
InChIInChI=1S/C20H20BrN3O4S/c1-12-7-8-18(21)19(9-12)24-29(26,27)16-6-4-5-15(10-16)22-20(25)11-17-13(2)23-28-14(17)3/h4-10,24H,11H2,1-3H3,(H,22,25)
InChIKeyRDTKPCLGCOIFDB-UHFFFAOYSA-N
MW478.37 g/mol
LogP4.34
Rot. Bonds6

About N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 17499967) has the molecular formula C20H20BrN3O4S and a molecular weight of 478.37 g/mol. Its IUPAC name is N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
PubChem CID17499967
Molecular FormulaC20H20BrN3O4S
Molecular Weight478.37 g/mol
Exact Mass477.04
IUPAC NameN-[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1ccc(Br)c(NS(=O)(=O)c2cccc(NC(=O)Cc3c(C)noc3C)c2)c1
InChIInChI=1S/C20H20BrN3O4S/c1-12-7-8-18(21)19(9-12)24-29(26,27)16-6-4-5-15(10-16)22-20(25)11-17-13(2)23-28-14(17)3/h4-10,24H,11H2,1-3H3,(H,22,25)
InChIKeyRDTKPCLGCOIFDB-UHFFFAOYSA-N
XLogP4.34
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.37
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenyl)acetamide
CID 17441508
3-[[3-[(2-bromo-5-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 46635900
N-(3-cyanophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 17425777
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-phenoxyphenyl)acetamide
CID 78794827
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide
CID 55680392
N-[[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]carbamothioyl]naphthalene-2-carboxamide
CID 3628701
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 17417848
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide
CID 27843163
N-(2-bromo-5-methylphenyl)-3-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 24536114
N-(4-bromo-2-fluorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 45495096
3-bromo-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]benzoic acid
CID 63112767
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26498995

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 17499967) is N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is Cc1ccc(Br)c(NS(=O)(=O)c2cccc(NC(=O)Cc3c(C)noc3C)c2)c1.
What is the InChIKey of N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is RDTKPCLGCOIFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O4S/c1-12-7-8-18(21)19(9-12)24-29(26,27)16-6-4-5-15(10-16)22-20(25)11-17-13(2)23-28-14(17)3/h4-10,24H,11H2,1-3H3,(H,22,25).
What are the key properties of N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 478.37 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 17499967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).