N-(2,4-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide

C25H23FN2O3S — CID 2157610

IUPACN-(2,4-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide
SMILESCc1ccc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(F)c3)c3ccccc23)c(C)c1
InChIInChI=1S/C25H23FN2O3S/c1-17-10-11-22(18(2)12-17)27-25(29)16-32(30,31)24-15-28(23-9-4-3-8-21(23)24)14-19-6-5-7-20(26)13-19/h3-13,15H,14,16H2,1-2H3,(H,27,29)
InChIKeyIGXJLUCRWBHASA-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.86
Rot. Bonds6

About N-(2,4-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide

N-(2,4-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide (PubChem CID 2157610) has the molecular formula C25H23FN2O3S and a molecular weight of 450.54 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide
PubChem CID2157610
Molecular FormulaC25H23FN2O3S
Molecular Weight450.54 g/mol
Exact Mass450.14
IUPAC NameN-(2,4-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide
SMILESCc1ccc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(F)c3)c3ccccc23)c(C)c1
InChIInChI=1S/C25H23FN2O3S/c1-17-10-11-22(18(2)12-17)27-25(29)16-32(30,31)24-15-28(23-9-4-3-8-21(23)24)14-19-6-5-7-20(26)13-19/h3-13,15H,14,16H2,1-2H3,(H,27,29)
InChIKeyIGXJLUCRWBHASA-UHFFFAOYSA-N
XLogP4.86
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylacetyl]amino]benzoate
CID 2157604
2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 30292321
N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide
CID 2157618
2-(2,5-difluorophenyl)sulfonyl-N-(2,4-dimethylphenyl)acetamide
CID 75527725
N-(4-fluorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonylacetamide
CID 2157632
N-(2,5-dimethylphenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292470
2-[1-[(2-fluoro-3-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 148746404
2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-phenylacetamide
CID 2157629
2-(3-benzylsulfonylindol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
CID 30291970
1-[(4-chlorophenyl)methyl]-3-[(3-fluorophenyl)methylsulfonyl]indole
CID 43952954
N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292273
N-(2-chloro-4-methylphenyl)-2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292117

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide (CID 2157610) is N-(2,4-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide is Cc1ccc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(F)c3)c3ccccc23)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide?
The InChIKey is IGXJLUCRWBHASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O3S/c1-17-10-11-22(18(2)12-17)27-25(29)16-32(30,31)24-15-28(23-9-4-3-8-21(23)24)14-19-6-5-7-20(26)13-19/h3-13,15H,14,16H2,1-2H3,(H,27,29).
What are the key properties of N-(2,4-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide?
N-(2,4-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide has a molecular weight of 450.54 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide is sourced from PubChem (CID 2157610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).