3-(4-bromophenyl)-4-methyl-N-(2-methylsulfonylethyl)pentanamide

C15H22BrNO3S — CID 110355279

IUPAC3-(4-bromophenyl)-4-methyl-N-(2-methylsulfonylethyl)pentanamide
SMILESCC(C)C(CC(=O)NCCS(C)(=O)=O)c1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO3S/c1-11(2)14(12-4-6-13(16)7-5-12)10-15(18)17-8-9-21(3,19)20/h4-7,11,14H,8-10H2,1-3H3,(H,17,18)
InChIKeyFQOXVKJMVCENME-UHFFFAOYSA-N
MW376.32 g/mol
LogP2.74
Rot. Bonds7

About 3-(4-bromophenyl)-4-methyl-N-(2-methylsulfonylethyl)pentanamide

3-(4-bromophenyl)-4-methyl-N-(2-methylsulfonylethyl)pentanamide (PubChem CID 110355279) has the molecular formula C15H22BrNO3S and a molecular weight of 376.32 g/mol. Its IUPAC name is 3-(4-bromophenyl)-4-methyl-N-(2-methylsulfonylethyl)pentanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-4-methyl-N-(2-methylsulfonylethyl)pentanamide
PubChem CID110355279
Molecular FormulaC15H22BrNO3S
Molecular Weight376.32 g/mol
Exact Mass375.05
IUPAC Name3-(4-bromophenyl)-4-methyl-N-(2-methylsulfonylethyl)pentanamide
SMILESCC(C)C(CC(=O)NCCS(C)(=O)=O)c1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO3S/c1-11(2)14(12-4-6-13(16)7-5-12)10-15(18)17-8-9-21(3,19)20/h4-7,11,14H,8-10H2,1-3H3,(H,17,18)
InChIKeyFQOXVKJMVCENME-UHFFFAOYSA-N
XLogP2.74
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Bromo-benzyl)-4-methyl-pentanoic acid cyanomethyl-amide
CID 44393653
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2-(3-bromophenyl)-2-methyl-N-(2-sulfamoylethyl)propanamide
CID 71914859
N-[1-(2-bromophenyl)propan-2-yl]-3-methylsulfonylpropanamide
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N-[1-(4-bromophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide
CID 75377511
3-(4-bromo-2-fluorophenyl)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 47083425
3-(4-bromo-2-fluorophenyl)-N-(2-sulfamoylethyl)propanamide
CID 47083627
3-(3,5-dimethylphenyl)-N-[2-(methylsulfonyl)ethyl]propanamide
CID 50968890
3-(2-bromophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 55824140
3-(4-bromophenyl)-N-propylsulfonylpropanamide
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CID 72015711

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-4-methyl-N-(2-methylsulfonylethyl)pentanamide?
The IUPAC name of 3-(4-bromophenyl)-4-methyl-N-(2-methylsulfonylethyl)pentanamide (CID 110355279) is 3-(4-bromophenyl)-4-methyl-N-(2-methylsulfonylethyl)pentanamide.
What is the SMILES notation for 3-(4-bromophenyl)-4-methyl-N-(2-methylsulfonylethyl)pentanamide?
The canonical SMILES for 3-(4-bromophenyl)-4-methyl-N-(2-methylsulfonylethyl)pentanamide is CC(C)C(CC(=O)NCCS(C)(=O)=O)c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-4-methyl-N-(2-methylsulfonylethyl)pentanamide?
The InChIKey is FQOXVKJMVCENME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3S/c1-11(2)14(12-4-6-13(16)7-5-12)10-15(18)17-8-9-21(3,19)20/h4-7,11,14H,8-10H2,1-3H3,(H,17,18).
What are the key properties of 3-(4-bromophenyl)-4-methyl-N-(2-methylsulfonylethyl)pentanamide?
3-(4-bromophenyl)-4-methyl-N-(2-methylsulfonylethyl)pentanamide has a molecular weight of 376.32 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-4-methyl-N-(2-methylsulfonylethyl)pentanamide is sourced from PubChem (CID 110355279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).