N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide

C13H14BrN3O4S — CID 113157845

IUPACN-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
SMILESCc1cc(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)no1
InChIInChI=1S/C13H14BrN3O4S/c1-9-7-12(16-21-9)17(22(2,19)20)8-13(18)15-11-5-3-10(14)4-6-11/h3-7H,8H2,1-2H3,(H,15,18)
InChIKeyBHTRPCGJGWVJQU-UHFFFAOYSA-N
MW388.24 g/mol
LogP2.15
Rot. Bonds5

About N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide

N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide (PubChem CID 113157845) has the molecular formula C13H14BrN3O4S and a molecular weight of 388.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
PubChem CID113157845
Molecular FormulaC13H14BrN3O4S
Molecular Weight388.24 g/mol
Exact Mass386.99
IUPAC NameN-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
SMILESCc1cc(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)no1
InChIInChI=1S/C13H14BrN3O4S/c1-9-7-12(16-21-9)17(22(2,19)20)8-13(18)15-11-5-3-10(14)4-6-11/h3-7H,8H2,1-2H3,(H,15,18)
InChIKeyBHTRPCGJGWVJQU-UHFFFAOYSA-N
XLogP2.15
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157887
N-(2,6-dimethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157819
2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-propan-2-ylacetamide
CID 113157726
N-(2,4-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157855
2-(3-bromo-N-methylsulfonylanilino)-N-(4-bromophenyl)acetamide
CID 30168807
N-(5-chloro-2-methoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157844
N-(4-bromophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110421673
N-[3-(dimethylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157744
N-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147451
2-(4-bromo-N-methylsulfonylanilino)-N-(3,4-dichlorophenyl)acetamide
CID 1295950
N-(4-bromophenyl)-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 998604
N-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157773

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide (CID 113157845) is N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide is Cc1cc(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)no1.
What is the InChIKey of N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide?
The InChIKey is BHTRPCGJGWVJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O4S/c1-9-7-12(16-21-9)17(22(2,19)20)8-13(18)15-11-5-3-10(14)4-6-11/h3-7H,8H2,1-2H3,(H,15,18).
What are the key properties of N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide?
N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide has a molecular weight of 388.24 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide is sourced from PubChem (CID 113157845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).