2-(3-bromo-2-methylindol-1-yl)-N-[2-(methanesulfonamido)phenyl]acetamide

C18H18BrN3O3S — CID 52714750

IUPAC2-(3-bromo-2-methylindol-1-yl)-N-[2-(methanesulfonamido)phenyl]acetamide
SMILESCc1c(Br)c2ccccc2n1CC(=O)Nc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C18H18BrN3O3S/c1-12-18(19)13-7-3-6-10-16(13)22(12)11-17(23)20-14-8-4-5-9-15(14)21-26(2,24)25/h3-10,21H,11H2,1-2H3,(H,20,23)
InChIKeySJVXEVRPFLYOCG-UHFFFAOYSA-N
MW436.33 g/mol
LogP3.72
Rot. Bonds5

About 2-(3-bromo-2-methylindol-1-yl)-N-[2-(methanesulfonamido)phenyl]acetamide

2-(3-bromo-2-methylindol-1-yl)-N-[2-(methanesulfonamido)phenyl]acetamide (PubChem CID 52714750) has the molecular formula C18H18BrN3O3S and a molecular weight of 436.33 g/mol. Its IUPAC name is 2-(3-bromo-2-methylindol-1-yl)-N-[2-(methanesulfonamido)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-bromo-2-methylindol-1-yl)-N-[2-(methanesulfonamido)phenyl]acetamide
PubChem CID52714750
Molecular FormulaC18H18BrN3O3S
Molecular Weight436.33 g/mol
Exact Mass435.03
IUPAC Name2-(3-bromo-2-methylindol-1-yl)-N-[2-(methanesulfonamido)phenyl]acetamide
SMILESCc1c(Br)c2ccccc2n1CC(=O)Nc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C18H18BrN3O3S/c1-12-18(19)13-7-3-6-10-16(13)22(12)11-17(23)20-14-8-4-5-9-15(14)21-26(2,24)25/h3-10,21H,11H2,1-2H3,(H,20,23)
InChIKeySJVXEVRPFLYOCG-UHFFFAOYSA-N
XLogP3.72
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.33
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide
CID 60548874
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CID 52661626
1-[[2-(3-bromo-2-methylindol-1-yl)acetyl]amino]-3-methylurea
CID 47383615
2-[[2-(3-bromo-2-methylindol-1-yl)acetyl]amino]propanoic acid
CID 119225645
N-(2,3-dimethylphenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide
CID 965806
2-(3-bromo-2-methylindol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 55859179
N-[2-(methanesulfonamido)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119704021
2-(3-bromo-2-methylindol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 47049412
2-(3-bromo-2-methylindol-1-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 55853850
2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 47049057
2-(3-bromo-2-methylindol-1-yl)-1-(2-chlorophenyl)ethanone
CID 63568306
1-(3-bromo-2-methylindol-1-yl)-3-methoxypropan-2-one
CID 107507755

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-[2-(methanesulfonamido)phenyl]acetamide?
The IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-[2-(methanesulfonamido)phenyl]acetamide (CID 52714750) is 2-(3-bromo-2-methylindol-1-yl)-N-[2-(methanesulfonamido)phenyl]acetamide.
What is the SMILES notation for 2-(3-bromo-2-methylindol-1-yl)-N-[2-(methanesulfonamido)phenyl]acetamide?
The canonical SMILES for 2-(3-bromo-2-methylindol-1-yl)-N-[2-(methanesulfonamido)phenyl]acetamide is Cc1c(Br)c2ccccc2n1CC(=O)Nc1ccccc1NS(C)(=O)=O.
What is the InChIKey of 2-(3-bromo-2-methylindol-1-yl)-N-[2-(methanesulfonamido)phenyl]acetamide?
The InChIKey is SJVXEVRPFLYOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O3S/c1-12-18(19)13-7-3-6-10-16(13)22(12)11-17(23)20-14-8-4-5-9-15(14)21-26(2,24)25/h3-10,21H,11H2,1-2H3,(H,20,23).
What are the key properties of 2-(3-bromo-2-methylindol-1-yl)-N-[2-(methanesulfonamido)phenyl]acetamide?
2-(3-bromo-2-methylindol-1-yl)-N-[2-(methanesulfonamido)phenyl]acetamide has a molecular weight of 436.33 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylindol-1-yl)-N-[2-(methanesulfonamido)phenyl]acetamide is sourced from PubChem (CID 52714750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).