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

C20H22BrN3O3S — CID 55859179

IUPAC2-(3-bromo-2-methylindol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
SMILESCc1c(Br)c2ccccc2n1CC(=O)NCc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H22BrN3O3S/c1-14-20(21)16-9-5-6-10-17(16)24(14)13-19(25)22-12-15-8-4-7-11-18(15)28(26,27)23(2)3/h4-11H,12-13H2,1-3H3,(H,22,25)
InChIKeyRGPUZUVLRPWYGQ-UHFFFAOYSA-N
MW464.39 g/mol
LogP3.28
Rot. Bonds6

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

2-(3-bromo-2-methylindol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide (PubChem CID 55859179) has the molecular formula C20H22BrN3O3S and a molecular weight of 464.39 g/mol. Its IUPAC name is 2-(3-bromo-2-methylindol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-bromo-2-methylindol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
PubChem CID55859179
Molecular FormulaC20H22BrN3O3S
Molecular Weight464.39 g/mol
Exact Mass463.06
IUPAC Name2-(3-bromo-2-methylindol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
SMILESCc1c(Br)c2ccccc2n1CC(=O)NCc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H22BrN3O3S/c1-14-20(21)16-9-5-6-10-17(16)24(14)13-19(25)22-12-15-8-4-7-11-18(15)28(26,27)23(2)3/h4-11H,12-13H2,1-3H3,(H,22,25)
InChIKeyRGPUZUVLRPWYGQ-UHFFFAOYSA-N
XLogP3.28
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide
CID 46493490
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 26060361
2-(4-bromoanilino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 29449798
2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 46472171
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 41267217
2-(2,6-dimethylanilino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 32908705
2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 47049057
2-(3-bromo-2-methylindol-1-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide
CID 52661759
2-(3-bromo-2-methylindol-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 55813717
1-[[2-(3-bromo-2-methylindol-1-yl)acetyl]amino]-3-methylurea
CID 47383615
2-(2,6-dimethylmorpholin-4-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 47020357
1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 24664693

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide (CID 55859179) is 2-(3-bromo-2-methylindol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3-bromo-2-methylindol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3-bromo-2-methylindol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide is Cc1c(Br)c2ccccc2n1CC(=O)NCc1ccccc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-(3-bromo-2-methylindol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide?
The InChIKey is RGPUZUVLRPWYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O3S/c1-14-20(21)16-9-5-6-10-17(16)24(14)13-19(25)22-12-15-8-4-7-11-18(15)28(26,27)23(2)3/h4-11H,12-13H2,1-3H3,(H,22,25).
What are the key properties of 2-(3-bromo-2-methylindol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide?
2-(3-bromo-2-methylindol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide has a molecular weight of 464.39 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 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-(dimethylsulfamoyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55859179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).