N-(4-bromophenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide

C17H18BrNO3S — CID 16838362

IUPACN-(4-bromophenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H18BrNO3S/c1-12(2)23(21,22)16-9-3-13(4-10-16)11-17(20)19-15-7-5-14(18)6-8-15/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyRJULRXZXGSGUEN-UHFFFAOYSA-N
MW396.31 g/mol
LogP3.81
Rot. Bonds5

About N-(4-bromophenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide

N-(4-bromophenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 16838362) has the molecular formula C17H18BrNO3S and a molecular weight of 396.31 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID16838362
Molecular FormulaC17H18BrNO3S
Molecular Weight396.31 g/mol
Exact Mass395.02
IUPAC NameN-(4-bromophenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H18BrNO3S/c1-12(2)23(21,22)16-9-3-13(4-10-16)11-17(20)19-15-7-5-14(18)6-8-15/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyRJULRXZXGSGUEN-UHFFFAOYSA-N
XLogP3.81
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.31
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838380
3-[4-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]phenyl]propanoic acid
CID 120528412
2-[4-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]phenoxy]acetic acid
CID 120537294
2-(4-bromophenyl)-N-[4-(1-hydroxyethyl)phenyl]acetamide
CID 91676875
2-(methylamino)-N-(4-propan-2-ylsulfonylphenyl)acetamide
CID 96678961
2-(4-bromophenyl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide
CID 7299572
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-phenylphenyl)acetamide
CID 100515533
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 92673900
2-(3-methoxyphenyl)-N-(4-propan-2-ylsulfonylphenyl)acetamide
CID 110778748
N-(4-propan-2-ylsulfonylphenyl)pentanamide
CID 110778701
2-cyano-N-(4-propan-2-ylsulfonylphenyl)acetamide
CID 115172909
2-(4-bromophenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide
CID 17256718

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide (CID 16838362) is N-(4-bromophenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide is CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is RJULRXZXGSGUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3S/c1-12(2)23(21,22)16-9-3-13(4-10-16)11-17(20)19-15-7-5-14(18)6-8-15/h3-10,12H,11H2,1-2H3,(H,19,20).
What are the key properties of N-(4-bromophenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
N-(4-bromophenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 396.31 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 16838362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).