N-(4-bromo-2-methylphenyl)-2-[(2-chloro-4-methylphenyl)sulfonyl-methylamino]acetamide

C17H18BrClN2O3S — CID 32676028

IUPACN-(4-bromo-2-methylphenyl)-2-[(2-chloro-4-methylphenyl)sulfonyl-methylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)c(Cl)c1
InChIInChI=1S/C17H18BrClN2O3S/c1-11-4-7-16(14(19)8-11)25(23,24)21(3)10-17(22)20-15-6-5-13(18)9-12(15)2/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyMLACJIIUSROHGY-UHFFFAOYSA-N
MW445.77 g/mol
LogP3.98
Rot. Bonds5

About N-(4-bromo-2-methylphenyl)-2-[(2-chloro-4-methylphenyl)sulfonyl-methylamino]acetamide

N-(4-bromo-2-methylphenyl)-2-[(2-chloro-4-methylphenyl)sulfonyl-methylamino]acetamide (PubChem CID 32676028) has the molecular formula C17H18BrClN2O3S and a molecular weight of 445.77 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[(2-chloro-4-methylphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[(2-chloro-4-methylphenyl)sulfonyl-methylamino]acetamide
PubChem CID32676028
Molecular FormulaC17H18BrClN2O3S
Molecular Weight445.77 g/mol
Exact Mass443.99
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[(2-chloro-4-methylphenyl)sulfonyl-methylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)c(Cl)c1
InChIInChI=1S/C17H18BrClN2O3S/c1-11-4-7-16(14(19)8-11)25(23,24)21(3)10-17(22)20-15-6-5-13(18)9-12(15)2/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyMLACJIIUSROHGY-UHFFFAOYSA-N
XLogP3.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.77
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 26943608
methyl 2-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]acetate
CID 39965306
5-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-chloro-N-methylbenzamide
CID 26904812
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-(4-chlorophenyl)-2-[(2,4-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 2545228
N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethylbenzenesulfonamide
CID 32675568
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62821107
2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 26943095
N-(4-bromo-2-methylphenyl)-2-(dimethylsulfamoylamino)acetamide
CID 113000594
N-(4-bromo-2-methylphenyl)-2-[methyl-(2-methylsulfanylacetyl)amino]acetamide
CID 17407334
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dibromophenyl)acetamide
CID 39166749

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[(2-chloro-4-methylphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[(2-chloro-4-methylphenyl)sulfonyl-methylamino]acetamide (CID 32676028) is N-(4-bromo-2-methylphenyl)-2-[(2-chloro-4-methylphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[(2-chloro-4-methylphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[(2-chloro-4-methylphenyl)sulfonyl-methylamino]acetamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)c(Cl)c1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[(2-chloro-4-methylphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is MLACJIIUSROHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClN2O3S/c1-11-4-7-16(14(19)8-11)25(23,24)21(3)10-17(22)20-15-6-5-13(18)9-12(15)2/h4-9H,10H2,1-3H3,(H,20,22).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[(2-chloro-4-methylphenyl)sulfonyl-methylamino]acetamide?
N-(4-bromo-2-methylphenyl)-2-[(2-chloro-4-methylphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 445.77 g/mol, XLogP of 3.98, 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-chloro-4-methylphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 32676028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).