N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-2,2-dimethylpropanamide

C19H23BrN2O4S — CID 25335535

IUPACN-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)C)cc1S(=O)(=O)Nc1cc(C)ccc1Br
InChIInChI=1S/C19H23BrN2O4S/c1-12-6-8-14(20)15(10-12)22-27(24,25)17-11-13(7-9-16(17)26-5)21-18(23)19(2,3)4/h6-11,22H,1-5H3,(H,21,23)
InChIKeyJNLILRUJFXIGAF-UHFFFAOYSA-N
MW455.37 g/mol
LogP4.55
Rot. Bonds5

About N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-2,2-dimethylpropanamide

N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-2,2-dimethylpropanamide (PubChem CID 25335535) has the molecular formula C19H23BrN2O4S and a molecular weight of 455.37 g/mol. Its IUPAC name is N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-2,2-dimethylpropanamide
PubChem CID25335535
Molecular FormulaC19H23BrN2O4S
Molecular Weight455.37 g/mol
Exact Mass454.06
IUPAC NameN-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)C)cc1S(=O)(=O)Nc1cc(C)ccc1Br
InChIInChI=1S/C19H23BrN2O4S/c1-12-6-8-14(20)15(10-12)22-27(24,25)17-11-13(7-9-16(17)26-5)21-18(23)19(2,3)4/h6-11,22H,1-5H3,(H,21,23)
InChIKeyJNLILRUJFXIGAF-UHFFFAOYSA-N
XLogP4.55
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.37
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 25472760
N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide
CID 26176103
N-(4-methoxy-3-sulfamoylphenyl)-2,2-dimethylpropanamide
CID 43082414
2-methoxyethyl (2E)-2-[[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]hydrazinylidene]-2-cyanoacetate
CID 6218604
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26951683
N-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26952518
N-(4-bromo-3-methylphenyl)-2-(2-methoxy-5-methylanilino)acetamide
CID 9099923
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114842
N-(2-bromo-4-methylphenyl)-2-methoxybenzenesulfonamide
CID 47104436
N-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 8514842
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-2,6-dimethylbenzamide
CID 71771105
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-2,2-dimethylpropanamide (CID 25335535) is N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-2,2-dimethylpropanamide is COc1ccc(NC(=O)C(C)(C)C)cc1S(=O)(=O)Nc1cc(C)ccc1Br.
What is the InChIKey of N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-2,2-dimethylpropanamide?
The InChIKey is JNLILRUJFXIGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O4S/c1-12-6-8-14(20)15(10-12)22-27(24,25)17-11-13(7-9-16(17)26-5)21-18(23)19(2,3)4/h6-11,22H,1-5H3,(H,21,23).
What are the key properties of N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-2,2-dimethylpropanamide?
N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-2,2-dimethylpropanamide has a molecular weight of 455.37 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 25335535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).