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

C25H23BrN2O3S — CID 30559630

IUPACN-(4-bromo-3-methylphenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
SMILESCc1ccc(CS(=O)(=O)c2cn(CC(=O)Nc3ccc(Br)c(C)c3)c3ccccc23)cc1
InChIInChI=1S/C25H23BrN2O3S/c1-17-7-9-19(10-8-17)16-32(30,31)24-14-28(23-6-4-3-5-21(23)24)15-25(29)27-20-11-12-22(26)18(2)13-20/h3-14H,15-16H2,1-2H3,(H,27,29)
InChIKeyAPAHRHBOHZQAFI-UHFFFAOYSA-N
MW511.44 g/mol
LogP5.63
Rot. Bonds6

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

N-(4-bromo-3-methylphenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide (PubChem CID 30559630) has the molecular formula C25H23BrN2O3S and a molecular weight of 511.44 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
PubChem CID30559630
Molecular FormulaC25H23BrN2O3S
Molecular Weight511.44 g/mol
Exact Mass510.06
IUPAC NameN-(4-bromo-3-methylphenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
SMILESCc1ccc(CS(=O)(=O)c2cn(CC(=O)Nc3ccc(Br)c(C)c3)c3ccccc23)cc1
InChIInChI=1S/C25H23BrN2O3S/c1-17-7-9-19(10-8-17)16-32(30,31)24-14-28(23-6-4-3-5-21(23)24)15-25(29)27-20-11-12-22(26)18(2)13-20/h3-14H,15-16H2,1-2H3,(H,27,29)
InChIKeyAPAHRHBOHZQAFI-UHFFFAOYSA-N
XLogP5.63
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.44
LogP ≤ 55.63
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-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559570
2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 30559600
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-(trifluoromethoxy)phenyl]acetamide
CID 30559584
N-(3-bromophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30560732
2-(3-benzylsulfonylindol-1-yl)-N-(3,4-dichlorophenyl)acetamide
CID 30558816
N-(3,4-dimethylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935668
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 30292063
N-(2,5-dimethylphenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292470
2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
CID 30292624
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(4-ethylphenyl)acetamide
CID 30292020

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide (CID 30559630) is N-(4-bromo-3-methylphenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide is Cc1ccc(CS(=O)(=O)c2cn(CC(=O)Nc3ccc(Br)c(C)c3)c3ccccc23)cc1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide?
The InChIKey is APAHRHBOHZQAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23BrN2O3S/c1-17-7-9-19(10-8-17)16-32(30,31)24-14-28(23-6-4-3-5-21(23)24)15-25(29)27-20-11-12-22(26)18(2)13-20/h3-14H,15-16H2,1-2H3,(H,27,29).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide?
N-(4-bromo-3-methylphenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide has a molecular weight of 511.44 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide is sourced from PubChem (CID 30559630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).