N-(4-bromo-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide

C18H21BrN2O3S — CID 26943608

IUPACN-(4-bromo-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)c1
InChIInChI=1S/C18H21BrN2O3S/c1-12-5-6-13(2)17(9-12)25(23,24)21(4)11-18(22)20-16-8-7-15(19)10-14(16)3/h5-10H,11H2,1-4H3,(H,20,22)
InChIKeyCJLJZYYTGBCJRT-UHFFFAOYSA-N
MW425.35 g/mol
LogP3.63
Rot. Bonds5

About N-(4-bromo-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide

N-(4-bromo-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide (PubChem CID 26943608) has the molecular formula C18H21BrN2O3S and a molecular weight of 425.35 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
PubChem CID26943608
Molecular FormulaC18H21BrN2O3S
Molecular Weight425.35 g/mol
Exact Mass424.05
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)c1
InChIInChI=1S/C18H21BrN2O3S/c1-12-5-6-13(2)17(9-12)25(23,24)21(4)11-18(22)20-16-8-7-15(19)10-14(16)3/h5-10H,11H2,1-4H3,(H,20,22)
InChIKeyCJLJZYYTGBCJRT-UHFFFAOYSA-N
XLogP3.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-[(2-chloro-4-methylphenyl)sulfonyl-methylamino]acetamide
CID 32676028
N-(2,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
CID 100781403
2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 7510049
N-(4-acetamidophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 100781076
N-(4-bromo-2-fluorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 989380
2-[acetyl-(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide
CID 99784876
N-(2,5-dimethylphenyl)-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 40690990
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62821107
N-cyclopropyl-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 8816801
2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 100781042
N-(4-bromo-2-methylphenyl)-2-(dimethylsulfamoylamino)acetamide
CID 113000594
N-[(2R)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 100780938

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide (CID 26943608) is N-(4-bromo-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide is Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)c1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is CJLJZYYTGBCJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3S/c1-12-5-6-13(2)17(9-12)25(23,24)21(4)11-18(22)20-16-8-7-15(19)10-14(16)3/h5-10H,11H2,1-4H3,(H,20,22).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide?
N-(4-bromo-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 425.35 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 26943608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).