N-(4-bromo-3-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide

C18H22BrN3O4S — CID 4884058

IUPACN-(4-bromo-3-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C18H22BrN3O4S/c1-12-9-13(5-7-15(12)19)21-18(23)11-20-16-10-14(6-8-17(16)26-4)27(24,25)22(2)3/h5-10,20H,11H2,1-4H3,(H,21,23)
InChIKeyHSFYVDXFQQBFHR-UHFFFAOYSA-N
MW456.36 g/mol
LogP3.07
Rot. Bonds7

About N-(4-bromo-3-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide

N-(4-bromo-3-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide (PubChem CID 4884058) has the molecular formula C18H22BrN3O4S and a molecular weight of 456.36 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide
PubChem CID4884058
Molecular FormulaC18H22BrN3O4S
Molecular Weight456.36 g/mol
Exact Mass455.05
IUPAC NameN-(4-bromo-3-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C18H22BrN3O4S/c1-12-9-13(5-7-15(12)19)21-18(23)11-20-16-10-14(6-8-17(16)26-4)27(24,25)22(2)3/h5-10,20H,11H2,1-4H3,(H,21,23)
InChIKeyHSFYVDXFQQBFHR-UHFFFAOYSA-N
XLogP3.07
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide
CID 55345430
N-(4-bromo-3-methylphenyl)-2-(2-methoxy-5-methylanilino)acetamide
CID 9099923
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(2-methoxyphenyl)acetamide
CID 9100537
2-(4-bromo-3-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9099482
N-(3,4-dimethylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide
CID 38255563
2-(4-chloro-2-methoxy-5-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 55345496
N-[3-[[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 24662396
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(4-methylphenyl)acetamide
CID 9100484
N-(3-chloro-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
CID 9100486
N-(5-tert-butyl-2-methoxyphenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
CID 4884054
N-(4-bromo-3-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 126179582
2-(4-bromo-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26508863

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide (CID 4884058) is N-(4-bromo-3-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide is COc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccc(Br)c(C)c1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide?
The InChIKey is HSFYVDXFQQBFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O4S/c1-12-9-13(5-7-15(12)19)21-18(23)11-20-16-10-14(6-8-17(16)26-4)27(24,25)22(2)3/h5-10,20H,11H2,1-4H3,(H,21,23).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide?
N-(4-bromo-3-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide has a molecular weight of 456.36 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide is sourced from PubChem (CID 4884058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).