N-(3,4-dimethylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide

C25H24N2O3S — CID 16935668

IUPACN-(3,4-dimethylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(C)c(C)c3)c3ccccc23)cc1
InChIInChI=1S/C25H24N2O3S/c1-17-8-12-21(13-9-17)31(29,30)24-15-27(23-7-5-4-6-22(23)24)16-25(28)26-20-11-10-18(2)19(3)14-20/h4-15H,16H2,1-3H3,(H,26,28)
InChIKeyNCNZOIQKJLNQEL-UHFFFAOYSA-N
MW432.55 g/mol
LogP5.04
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide

N-(3,4-dimethylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide (PubChem CID 16935668) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
PubChem CID16935668
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC NameN-(3,4-dimethylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(C)c(C)c3)c3ccccc23)cc1
InChIInChI=1S/C25H24N2O3S/c1-17-8-12-21(13-9-17)31(29,30)24-15-27(23-7-5-4-6-22(23)24)16-25(28)26-20-11-10-18(2)19(3)14-20/h4-15H,16H2,1-3H3,(H,26,28)
InChIKeyNCNZOIQKJLNQEL-UHFFFAOYSA-N
XLogP5.04
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935677
2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-pyridin-3-ylacetamide
CID 16935688
N-benzyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935583
N-(4-chlorophenyl)-2-[3-(3,4-dimethylphenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 2137845
N-(4-acetamidophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16936113
butyl 4-[[2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetyl]amino]benzoate
CID 16935654
N-(4-bromo-3-methylphenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559630
N-(3-chloro-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 2136964
2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16935690
2-[3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
CID 20869270
N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16936042
2-(3-cyanoindol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 951761

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide (CID 16935668) is N-(3,4-dimethylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide is Cc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(C)c(C)c3)c3ccccc23)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide?
The InChIKey is NCNZOIQKJLNQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-17-8-12-21(13-9-17)31(29,30)24-15-27(23-7-5-4-6-22(23)24)16-25(28)26-20-11-10-18(2)19(3)14-20/h4-15H,16H2,1-3H3,(H,26,28).
What are the key properties of N-(3,4-dimethylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide?
N-(3,4-dimethylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide has a molecular weight of 432.55 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide is sourced from PubChem (CID 16935668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).