5-(4-bromophenyl)-N-[2-(methanesulfonamido)-5-methylphenyl]-3-methyl-5-oxopentanamide

C20H23BrN2O4S — CID 166334517

IUPAC5-(4-bromophenyl)-N-[2-(methanesulfonamido)-5-methylphenyl]-3-methyl-5-oxopentanamide
SMILESCc1ccc(NS(C)(=O)=O)c(NC(=O)CC(C)CC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C20H23BrN2O4S/c1-13-4-9-17(23-28(3,26)27)18(10-13)22-20(25)12-14(2)11-19(24)15-5-7-16(21)8-6-15/h4-10,14,23H,11-12H2,1-3H3,(H,22,25)
InChIKeySYAIOMZFMUEVBC-UHFFFAOYSA-N
MW467.39 g/mol
LogP4.37
Rot. Bonds8

About 5-(4-bromophenyl)-N-[2-(methanesulfonamido)-5-methylphenyl]-3-methyl-5-oxopentanamide

5-(4-bromophenyl)-N-[2-(methanesulfonamido)-5-methylphenyl]-3-methyl-5-oxopentanamide (PubChem CID 166334517) has the molecular formula C20H23BrN2O4S and a molecular weight of 467.39 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[2-(methanesulfonamido)-5-methylphenyl]-3-methyl-5-oxopentanamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-[2-(methanesulfonamido)-5-methylphenyl]-3-methyl-5-oxopentanamide
PubChem CID166334517
Molecular FormulaC20H23BrN2O4S
Molecular Weight467.39 g/mol
Exact Mass466.06
IUPAC Name5-(4-bromophenyl)-N-[2-(methanesulfonamido)-5-methylphenyl]-3-methyl-5-oxopentanamide
SMILESCc1ccc(NS(C)(=O)=O)c(NC(=O)CC(C)CC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C20H23BrN2O4S/c1-13-4-9-17(23-28(3,26)27)18(10-13)22-20(25)12-14(2)11-19(24)15-5-7-16(21)8-6-15/h4-10,14,23H,11-12H2,1-3H3,(H,22,25)
InChIKeySYAIOMZFMUEVBC-UHFFFAOYSA-N
XLogP4.37
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.39
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methanesulfonamido)-5-methylphenyl]-2-methyl-3-(methylamino)propanamide
CID 119802651
5-(2,5-dimethylanilino)-3-methyl-5-oxopentanoic acid
CID 62965721
(3S)-1-(4-bromophenyl)-3-methylhexane-1,5-dione
CID 51567159
4-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-3-methylbutanamide
CID 81076245
N-(2,4-dimethylphenyl)-3-methylpentanamide
CID 54564506
1-(4-bromophenyl)-3-(2,4-dimethylanilino)propan-1-one
CID 100817184
1-(4-bromophenyl)-2-(2,4-dimethylanilino)ethanone
CID 12909509
3-amino-N-(2,5-dimethylphenyl)butanamide
CID 60835673
N-(2-amino-4-methylphenyl)-3-methylpentanamide
CID 114873461
3-amino-N-[2-(methanesulfonamido)-5-methylphenyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119802640
5-(2-methoxy-4-methylanilino)-3-methyl-5-oxopentanoic acid
CID 62966442
1-(4-bromophenyl)-3-(2-hydroxy-4-methylphenyl)propane-1,3-dione
CID 877755

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-[2-(methanesulfonamido)-5-methylphenyl]-3-methyl-5-oxopentanamide?
The IUPAC name of 5-(4-bromophenyl)-N-[2-(methanesulfonamido)-5-methylphenyl]-3-methyl-5-oxopentanamide (CID 166334517) is 5-(4-bromophenyl)-N-[2-(methanesulfonamido)-5-methylphenyl]-3-methyl-5-oxopentanamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-[2-(methanesulfonamido)-5-methylphenyl]-3-methyl-5-oxopentanamide?
The canonical SMILES for 5-(4-bromophenyl)-N-[2-(methanesulfonamido)-5-methylphenyl]-3-methyl-5-oxopentanamide is Cc1ccc(NS(C)(=O)=O)c(NC(=O)CC(C)CC(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 5-(4-bromophenyl)-N-[2-(methanesulfonamido)-5-methylphenyl]-3-methyl-5-oxopentanamide?
The InChIKey is SYAIOMZFMUEVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O4S/c1-13-4-9-17(23-28(3,26)27)18(10-13)22-20(25)12-14(2)11-19(24)15-5-7-16(21)8-6-15/h4-10,14,23H,11-12H2,1-3H3,(H,22,25).
What are the key properties of 5-(4-bromophenyl)-N-[2-(methanesulfonamido)-5-methylphenyl]-3-methyl-5-oxopentanamide?
5-(4-bromophenyl)-N-[2-(methanesulfonamido)-5-methylphenyl]-3-methyl-5-oxopentanamide has a molecular weight of 467.39 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-[2-(methanesulfonamido)-5-methylphenyl]-3-methyl-5-oxopentanamide is sourced from PubChem (CID 166334517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).