2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide

C25H24N2O3S — CID 30292624

IUPAC2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
SMILESCc1ccc(C)c(CS(=O)(=O)c2cn(CC(=O)Nc3ccccc3)c3ccccc23)c1
InChIInChI=1S/C25H24N2O3S/c1-18-12-13-19(2)20(14-18)17-31(29,30)24-15-27(23-11-7-6-10-22(23)24)16-25(28)26-21-8-4-3-5-9-21/h3-15H,16-17H2,1-2H3,(H,26,28)
InChIKeyHNXIFLGUYPDSKB-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.87
Rot. Bonds6

About 2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide

2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide (PubChem CID 30292624) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is 2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
PubChem CID30292624
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC Name2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
SMILESCc1ccc(C)c(CS(=O)(=O)c2cn(CC(=O)Nc3ccccc3)c3ccccc23)c1
InChIInChI=1S/C25H24N2O3S/c1-18-12-13-19(2)20(14-18)17-31(29,30)24-15-27(23-11-7-6-10-22(23)24)16-25(28)26-21-8-4-3-5-9-21/h3-15H,16-17H2,1-2H3,(H,26,28)
InChIKeyHNXIFLGUYPDSKB-UHFFFAOYSA-N
XLogP4.87
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292664
N-(5-chloro-2-methylphenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292716
N-(4-chloro-2-fluorophenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292735
N-(3-methylphenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911133
2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(3-methylphenyl)acetamide
CID 20911176
2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
CID 20911238
methyl 4-[[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzoate
CID 30559177
N-(3,4-difluorophenyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559201
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292673
N-(3-bromophenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559570
N-(4-bromo-3-methylphenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559630
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 30292063

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide (CID 30292624) is 2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide is Cc1ccc(C)c(CS(=O)(=O)c2cn(CC(=O)Nc3ccccc3)c3ccccc23)c1.
What is the InChIKey of 2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide?
The InChIKey is HNXIFLGUYPDSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-18-12-13-19(2)20(14-18)17-31(29,30)24-15-27(23-11-7-6-10-22(23)24)16-25(28)26-21-8-4-3-5-9-21/h3-15H,16-17H2,1-2H3,(H,26,28).
What are the key properties of 2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide?
2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide has a molecular weight of 432.55 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 30292624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).