N-(4-bromo-2,6-dimethylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide

C24H25BrN2O4S — CID 100801070

IUPACN-(4-bromo-2,6-dimethylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
SMILESCc1cc(Br)cc(C)c1NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C24H25BrN2O4S/c1-16-13-20(25)14-17(2)24(16)26-23(28)15-31-21-9-11-22(12-10-21)32(29,30)27-18(3)19-7-5-4-6-8-19/h4-14,18,27H,15H2,1-3H3,(H,26,28)/t18-/m0/s1
InChIKeyWUCLJTJJGRPXHT-SFHVURJKSA-N
MW517.45 g/mol
LogP5.12
Rot. Bonds8

About N-(4-bromo-2,6-dimethylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide

N-(4-bromo-2,6-dimethylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide (PubChem CID 100801070) has the molecular formula C24H25BrN2O4S and a molecular weight of 517.45 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
PubChem CID100801070
Molecular FormulaC24H25BrN2O4S
Molecular Weight517.45 g/mol
Exact Mass516.07
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
SMILESCc1cc(Br)cc(C)c1NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C24H25BrN2O4S/c1-16-13-20(25)14-17(2)24(16)26-23(28)15-31-21-9-11-22(12-10-21)32(29,30)27-18(3)19-7-5-4-6-8-19/h4-14,18,27H,15H2,1-3H3,(H,26,28)/t18-/m0/s1
InChIKeyWUCLJTJJGRPXHT-SFHVURJKSA-N
XLogP5.12
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.45
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-bromo-2,6-dimethylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide with MolForge

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Related Compounds

N-(2,6-dimethylphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126133986
N-phenyl-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126130695
N-(2,6-diethylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126254461
N-(2,6-diethylphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126254462
N-(2-bromophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
CID 2942339
N-(4-bromo-2-fluorophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
CID 2947306
N-(2,3-dimethylphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126140739
N-(2-methyl-5-nitrophenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126251064
2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-propan-2-ylacetamide
CID 1006268
N-tert-butyl-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126152898
N-(2-ethylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1319406
N-(3-acetylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1314176

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide (CID 100801070) is N-(4-bromo-2,6-dimethylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide is Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
The InChIKey is WUCLJTJJGRPXHT-SFHVURJKSA-N. The full InChI is InChI=1S/C24H25BrN2O4S/c1-16-13-20(25)14-17(2)24(16)26-23(28)15-31-21-9-11-22(12-10-21)32(29,30)27-18(3)19-7-5-4-6-8-19/h4-14,18,27H,15H2,1-3H3,(H,26,28)/t18-/m0/s1.
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
N-(4-bromo-2,6-dimethylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide has a molecular weight of 517.45 g/mol, XLogP of 5.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 100801070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).