N-(3-bromophenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide

C24H21BrN2O3S — CID 30559570

IUPACN-(3-bromophenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
SMILESCc1ccc(CS(=O)(=O)c2cn(CC(=O)Nc3cccc(Br)c3)c3ccccc23)cc1
InChIInChI=1S/C24H21BrN2O3S/c1-17-9-11-18(12-10-17)16-31(29,30)23-14-27(22-8-3-2-7-21(22)23)15-24(28)26-20-6-4-5-19(25)13-20/h2-14H,15-16H2,1H3,(H,26,28)
InChIKeyDIGZBYVACXZWMK-UHFFFAOYSA-N
MW497.41 g/mol
LogP5.32
Rot. Bonds6

About N-(3-bromophenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide

N-(3-bromophenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide (PubChem CID 30559570) has the molecular formula C24H21BrN2O3S and a molecular weight of 497.41 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
PubChem CID30559570
Molecular FormulaC24H21BrN2O3S
Molecular Weight497.41 g/mol
Exact Mass496.05
IUPAC NameN-(3-bromophenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
SMILESCc1ccc(CS(=O)(=O)c2cn(CC(=O)Nc3cccc(Br)c3)c3ccccc23)cc1
InChIInChI=1S/C24H21BrN2O3S/c1-17-9-11-18(12-10-17)16-31(29,30)23-14-27(22-8-3-2-7-21(22)23)15-24(28)26-20-6-4-5-19(25)13-20/h2-14H,15-16H2,1H3,(H,26,28)
InChIKeyDIGZBYVACXZWMK-UHFFFAOYSA-N
XLogP5.32
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.41
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911133
N-(3-bromophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30560732
N-(4-bromo-3-methylphenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559630
N-[4-(dimethylamino)phenyl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911097
2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 30559600
2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(3-methylphenyl)acetamide
CID 20911176
2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 30559584
N-butan-2-yl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 43958381
2-(3-benzylsulfonylindol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
CID 30291970
2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
CID 30292624
2-(3-benzylsulfonylindol-1-yl)-N-pyridin-4-ylacetamide
CID 30558852
N-(2,5-dimethylphenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292470

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide (CID 30559570) is N-(3-bromophenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide is Cc1ccc(CS(=O)(=O)c2cn(CC(=O)Nc3cccc(Br)c3)c3ccccc23)cc1.
What is the InChIKey of N-(3-bromophenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide?
The InChIKey is DIGZBYVACXZWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN2O3S/c1-17-9-11-18(12-10-17)16-31(29,30)23-14-27(22-8-3-2-7-21(22)23)15-24(28)26-20-6-4-5-19(25)13-20/h2-14H,15-16H2,1H3,(H,26,28).
What are the key properties of N-(3-bromophenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide?
N-(3-bromophenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide has a molecular weight of 497.41 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide is sourced from PubChem (CID 30559570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).