N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[(2,4-dimethylphenoxy)methyl]thiophene-3-sulfonamide

C17H17BrN2O4S2 — CID 23445379

IUPACN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[(2,4-dimethylphenoxy)methyl]thiophene-3-sulfonamide
SMILESCc1ccc(OCc2sccc2S(=O)(=O)Nc2onc(C)c2Br)c(C)c1
InChIInChI=1S/C17H17BrN2O4S2/c1-10-4-5-13(11(2)8-10)23-9-14-15(6-7-25-14)26(21,22)20-17-16(18)12(3)19-24-17/h4-8,20H,9H2,1-3H3
InChIKeyPSFPUHKZCRACEN-UHFFFAOYSA-N
MW457.37 g/mol
LogP4.80
Rot. Bonds6

About N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[(2,4-dimethylphenoxy)methyl]thiophene-3-sulfonamide

N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[(2,4-dimethylphenoxy)methyl]thiophene-3-sulfonamide (PubChem CID 23445379) has the molecular formula C17H17BrN2O4S2 and a molecular weight of 457.37 g/mol. Its IUPAC name is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[(2,4-dimethylphenoxy)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[(2,4-dimethylphenoxy)methyl]thiophene-3-sulfonamide
PubChem CID23445379
Molecular FormulaC17H17BrN2O4S2
Molecular Weight457.37 g/mol
Exact Mass455.98
IUPAC NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[(2,4-dimethylphenoxy)methyl]thiophene-3-sulfonamide
SMILESCc1ccc(OCc2sccc2S(=O)(=O)Nc2onc(C)c2Br)c(C)c1
InChIInChI=1S/C17H17BrN2O4S2/c1-10-4-5-13(11(2)8-10)23-9-14-15(6-7-25-14)26(21,22)20-17-16(18)12(3)19-24-17/h4-8,20H,9H2,1-3H3
InChIKeyPSFPUHKZCRACEN-UHFFFAOYSA-N
XLogP4.80
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.37
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[(2,4-dimethylphenoxy)methyl]thiophene-3-sulfonamide with MolForge

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Related Compounds

(3-methylphenyl) 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate
CID 23445317
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,4,6-trimethylbenzenesulfonamide
CID 15453209
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-(2-phenylethenyl)thiophene-3-sulfonamide
CID 54011826
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(dimethylamino)-2-methylbenzenesulfonamide
CID 10714421
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-methylphenyl)thiophene-2-sulfonamide
CID 23445410
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,4,5-trichlorobenzenesulfonamide
CID 18617286
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylfuran-2-sulfonamide
CID 174364946
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-(imidazole-1-carbonyl)thiophene-3-sulfonamide
CID 10788100
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[(3-methoxyanilino)methyl]thiophene-3-sulfonamide
CID 23445415
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,3-dichlorobenzenesulfonamide
CID 18617376
3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)thiophene-2-carboxamide
CID 10672494
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-nitrobenzenesulfonamide
CID 22411376

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[(2,4-dimethylphenoxy)methyl]thiophene-3-sulfonamide?
The IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[(2,4-dimethylphenoxy)methyl]thiophene-3-sulfonamide (CID 23445379) is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[(2,4-dimethylphenoxy)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[(2,4-dimethylphenoxy)methyl]thiophene-3-sulfonamide?
The canonical SMILES for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[(2,4-dimethylphenoxy)methyl]thiophene-3-sulfonamide is Cc1ccc(OCc2sccc2S(=O)(=O)Nc2onc(C)c2Br)c(C)c1.
What is the InChIKey of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[(2,4-dimethylphenoxy)methyl]thiophene-3-sulfonamide?
The InChIKey is PSFPUHKZCRACEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O4S2/c1-10-4-5-13(11(2)8-10)23-9-14-15(6-7-25-14)26(21,22)20-17-16(18)12(3)19-24-17/h4-8,20H,9H2,1-3H3.
What are the key properties of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[(2,4-dimethylphenoxy)methyl]thiophene-3-sulfonamide?
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[(2,4-dimethylphenoxy)methyl]thiophene-3-sulfonamide has a molecular weight of 457.37 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[(2,4-dimethylphenoxy)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 23445379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).