N-[3-[(4-bromophenyl)-propylsulfamoyl]phenyl]-1,3-oxazole-2-carboxamide

C19H18BrN3O4S — CID 166755192

IUPACN-[3-[(4-bromophenyl)-propylsulfamoyl]phenyl]-1,3-oxazole-2-carboxamide
SMILESCCCN(c1ccc(Br)cc1)S(=O)(=O)c1cccc(NC(=O)c2ncco2)c1
InChIInChI=1S/C19H18BrN3O4S/c1-2-11-23(16-8-6-14(20)7-9-16)28(25,26)17-5-3-4-15(13-17)22-18(24)19-21-10-12-27-19/h3-10,12-13H,2,11H2,1H3,(H,22,24)
InChIKeyRVYIMJOQLJEEPE-UHFFFAOYSA-N
MW464.34 g/mol
LogP4.29
Rot. Bonds7

About N-[3-[(4-bromophenyl)-propylsulfamoyl]phenyl]-1,3-oxazole-2-carboxamide

N-[3-[(4-bromophenyl)-propylsulfamoyl]phenyl]-1,3-oxazole-2-carboxamide (PubChem CID 166755192) has the molecular formula C19H18BrN3O4S and a molecular weight of 464.34 g/mol. Its IUPAC name is N-[3-[(4-bromophenyl)-propylsulfamoyl]phenyl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-bromophenyl)-propylsulfamoyl]phenyl]-1,3-oxazole-2-carboxamide
PubChem CID166755192
Molecular FormulaC19H18BrN3O4S
Molecular Weight464.34 g/mol
Exact Mass463.02
IUPAC NameN-[3-[(4-bromophenyl)-propylsulfamoyl]phenyl]-1,3-oxazole-2-carboxamide
SMILESCCCN(c1ccc(Br)cc1)S(=O)(=O)c1cccc(NC(=O)c2ncco2)c1
InChIInChI=1S/C19H18BrN3O4S/c1-2-11-23(16-8-6-14(20)7-9-16)28(25,26)17-5-3-4-15(13-17)22-18(24)19-21-10-12-27-19/h3-10,12-13H,2,11H2,1H3,(H,22,24)
InChIKeyRVYIMJOQLJEEPE-UHFFFAOYSA-N
XLogP4.29
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.34
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-fluoro-3-(4-fluoroanilino)sulfanylphenyl]-1,3-oxazole-2-carboxamide
CID 156860002
N-[4-fluoro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide
CID 166755207
N-[4-ethyl-3-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide
CID 168786242
5-amino-2-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 106369013
5-amino-2-bromo-4-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369177
5-amino-2-bromo-4-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387577
N-[3-[(4-bromophenyl)-methylsulfamoyl]phenyl]-N-methyl-1,3-oxazole-2-carboxamide
CID 156859643
N-[3-(4-bromo-N-propylanilino)sulfanylphenyl]-1,3-oxazole-2-carboxamide
CID 156859704
N-[3-(4-bromoanilino)sulfanylphenyl]-1,3-oxazole-2-carboxamide
CID 156859820
(4-Bromoanilino)-hydroxy-[2-(2-hydroxyethyl)-5-(1,3-oxazole-2-carbonylamino)phenyl]sulfanium
CID 156859970
N-[3-(4-bromoanilino)sulfanyl-4-(2-hydroxyethyl)phenyl]-1,3-oxazole-2-carboxamide
CID 156860005
N-[3-[(4-bromophenyl)sulfamoyl]-4-(2-hydroxyethyl)phenyl]-1,3-oxazole-2-carboxamide
CID 166748377

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-bromophenyl)-propylsulfamoyl]phenyl]-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[3-[(4-bromophenyl)-propylsulfamoyl]phenyl]-1,3-oxazole-2-carboxamide (CID 166755192) is N-[3-[(4-bromophenyl)-propylsulfamoyl]phenyl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[3-[(4-bromophenyl)-propylsulfamoyl]phenyl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[3-[(4-bromophenyl)-propylsulfamoyl]phenyl]-1,3-oxazole-2-carboxamide is CCCN(c1ccc(Br)cc1)S(=O)(=O)c1cccc(NC(=O)c2ncco2)c1.
What is the InChIKey of N-[3-[(4-bromophenyl)-propylsulfamoyl]phenyl]-1,3-oxazole-2-carboxamide?
The InChIKey is RVYIMJOQLJEEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O4S/c1-2-11-23(16-8-6-14(20)7-9-16)28(25,26)17-5-3-4-15(13-17)22-18(24)19-21-10-12-27-19/h3-10,12-13H,2,11H2,1H3,(H,22,24).
What are the key properties of N-[3-[(4-bromophenyl)-propylsulfamoyl]phenyl]-1,3-oxazole-2-carboxamide?
N-[3-[(4-bromophenyl)-propylsulfamoyl]phenyl]-1,3-oxazole-2-carboxamide has a molecular weight of 464.34 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-bromophenyl)-propylsulfamoyl]phenyl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 166755192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).