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

C13H14BrN3O4S — CID 18754970

IUPACN-[3-bromo-4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)c(Br)c1
InChIInChI=1S/C13H14BrN3O4S/c1-7-8(2)16-21-13(7)17-22(19,20)12-5-4-10(6-11(12)14)15-9(3)18/h4-6,17H,1-3H3,(H,15,18)
InChIKeyMGMAWKWBDIJASG-UHFFFAOYSA-N
MW388.24 g/mol
LogP2.81
Rot. Bonds4

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

N-[3-bromo-4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide (PubChem CID 18754970) has the molecular formula C13H14BrN3O4S and a molecular weight of 388.24 g/mol. Its IUPAC name is N-[3-bromo-4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-bromo-4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide
PubChem CID18754970
Molecular FormulaC13H14BrN3O4S
Molecular Weight388.24 g/mol
Exact Mass386.99
IUPAC NameN-[3-bromo-4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)c(Br)c1
InChIInChI=1S/C13H14BrN3O4S/c1-7-8(2)16-21-13(7)17-22(19,20)12-5-4-10(6-11(12)14)15-9(3)18/h4-6,17H,1-3H3,(H,15,18)
InChIKeyMGMAWKWBDIJASG-UHFFFAOYSA-N
XLogP2.81
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.24
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[3-bromo-4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide (CID 18754970) is N-[3-bromo-4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[3-bromo-4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[3-bromo-4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)c(Br)c1.
What is the InChIKey of N-[3-bromo-4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is MGMAWKWBDIJASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O4S/c1-7-8(2)16-21-13(7)17-22(19,20)12-5-4-10(6-11(12)14)15-9(3)18/h4-6,17H,1-3H3,(H,15,18).
What are the key properties of N-[3-bromo-4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide?
N-[3-bromo-4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 388.24 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 18754970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).