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

C18H16BrN3O4S — CID 156859643

IUPACN-[3-[(4-bromophenyl)-methylsulfamoyl]phenyl]-N-methyl-1,3-oxazole-2-carboxamide
SMILESCN(C(=O)c1ncco1)c1cccc(S(=O)(=O)N(C)c2ccc(Br)cc2)c1
InChIInChI=1S/C18H16BrN3O4S/c1-21(18(23)17-20-10-11-26-17)15-4-3-5-16(12-15)27(24,25)22(2)14-8-6-13(19)7-9-14/h3-12H,1-2H3
InChIKeyLJWIVCMNECTOFB-UHFFFAOYSA-N
MW450.31 g/mol
LogP3.54
Rot. Bonds5

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

N-[3-[(4-bromophenyl)-methylsulfamoyl]phenyl]-N-methyl-1,3-oxazole-2-carboxamide (PubChem CID 156859643) has the molecular formula C18H16BrN3O4S and a molecular weight of 450.31 g/mol. Its IUPAC name is N-[3-[(4-bromophenyl)-methylsulfamoyl]phenyl]-N-methyl-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-bromophenyl)-methylsulfamoyl]phenyl]-N-methyl-1,3-oxazole-2-carboxamide
PubChem CID156859643
Molecular FormulaC18H16BrN3O4S
Molecular Weight450.31 g/mol
Exact Mass449.00
IUPAC NameN-[3-[(4-bromophenyl)-methylsulfamoyl]phenyl]-N-methyl-1,3-oxazole-2-carboxamide
SMILESCN(C(=O)c1ncco1)c1cccc(S(=O)(=O)N(C)c2ccc(Br)cc2)c1
InChIInChI=1S/C18H16BrN3O4S/c1-21(18(23)17-20-10-11-26-17)15-4-3-5-16(12-15)27(24,25)22(2)14-8-6-13(19)7-9-14/h3-12H,1-2H3
InChIKeyLJWIVCMNECTOFB-UHFFFAOYSA-N
XLogP3.54
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.31
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-bromophenyl)-methylsulfamoyl]phenyl]-N-methyl-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[3-[(4-bromophenyl)-methylsulfamoyl]phenyl]-N-methyl-1,3-oxazole-2-carboxamide (CID 156859643) is N-[3-[(4-bromophenyl)-methylsulfamoyl]phenyl]-N-methyl-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[3-[(4-bromophenyl)-methylsulfamoyl]phenyl]-N-methyl-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[3-[(4-bromophenyl)-methylsulfamoyl]phenyl]-N-methyl-1,3-oxazole-2-carboxamide is CN(C(=O)c1ncco1)c1cccc(S(=O)(=O)N(C)c2ccc(Br)cc2)c1.
What is the InChIKey of N-[3-[(4-bromophenyl)-methylsulfamoyl]phenyl]-N-methyl-1,3-oxazole-2-carboxamide?
The InChIKey is LJWIVCMNECTOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O4S/c1-21(18(23)17-20-10-11-26-17)15-4-3-5-16(12-15)27(24,25)22(2)14-8-6-13(19)7-9-14/h3-12H,1-2H3.
What are the key properties of N-[3-[(4-bromophenyl)-methylsulfamoyl]phenyl]-N-methyl-1,3-oxazole-2-carboxamide?
N-[3-[(4-bromophenyl)-methylsulfamoyl]phenyl]-N-methyl-1,3-oxazole-2-carboxamide has a molecular weight of 450.31 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-bromophenyl)-methylsulfamoyl]phenyl]-N-methyl-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 156859643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).