N-(4-bromophenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C18H20BrNO4S — CID 2147249

IUPACN-(4-bromophenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C18H20BrNO4S/c1-12(2)16-9-4-13(3)10-17(16)24-11-18(21)20-25(22,23)15-7-5-14(19)6-8-15/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyDFLZMFDRRVIMKP-UHFFFAOYSA-N
MW426.33 g/mol
LogP3.76
Rot. Bonds6

About N-(4-bromophenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-(4-bromophenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 2147249) has the molecular formula C18H20BrNO4S and a molecular weight of 426.33 g/mol. Its IUPAC name is N-(4-bromophenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID2147249
Molecular FormulaC18H20BrNO4S
Molecular Weight426.33 g/mol
Exact Mass425.03
IUPAC NameN-(4-bromophenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C18H20BrNO4S/c1-12(2)16-9-4-13(3)10-17(16)24-11-18(21)20-25(22,23)15-7-5-14(19)6-8-15/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyDFLZMFDRRVIMKP-UHFFFAOYSA-N
XLogP3.76
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(4-bromophenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 2147249) is N-(4-bromophenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(4-bromophenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(4-bromophenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)c(OCC(=O)NS(=O)(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of N-(4-bromophenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is DFLZMFDRRVIMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO4S/c1-12(2)16-9-4-13(3)10-17(16)24-11-18(21)20-25(22,23)15-7-5-14(19)6-8-15/h4-10,12H,11H2,1-3H3,(H,20,21).
What are the key properties of N-(4-bromophenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-(4-bromophenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 426.33 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 2147249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).