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

C24H23N3O3S — CID 18573430

IUPAC2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1ccc(CS(=O)(=O)c2cn(CC(=O)NCc3ccccn3)c3ccccc23)cc1
InChIInChI=1S/C24H23N3O3S/c1-18-9-11-19(12-10-18)17-31(29,30)23-15-27(22-8-3-2-7-21(22)23)16-24(28)26-14-20-6-4-5-13-25-20/h2-13,15H,14,16-17H2,1H3,(H,26,28)
InChIKeyCZDRYBFOQYELKL-UHFFFAOYSA-N
MW433.53 g/mol
LogP3.64
Rot. Bonds7

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

2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 18573430) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is 2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID18573430
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1ccc(CS(=O)(=O)c2cn(CC(=O)NCc3ccccn3)c3ccccc23)cc1
InChIInChI=1S/C24H23N3O3S/c1-18-9-11-19(12-10-18)17-31(29,30)23-15-27(22-8-3-2-7-21(22)23)16-24(28)26-14-20-6-4-5-13-25-20/h2-13,15H,14,16-17H2,1H3,(H,26,28)
InChIKeyCZDRYBFOQYELKL-UHFFFAOYSA-N
XLogP3.64
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 30561057
N-[(2-chlorophenyl)methyl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911124
N-butyl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559422
N-butan-2-yl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 43958381
N-(3-methylphenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911133
N-[2-(2-methoxyphenyl)ethyl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559531
2-(3-benzylsulfonylindol-1-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 30558854
2-(3-benzylsulfonylindol-1-yl)-N-propylacetamide
CID 30558630
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 18573430) is 2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide is Cc1ccc(CS(=O)(=O)c2cn(CC(=O)NCc3ccccn3)c3ccccc23)cc1.
What is the InChIKey of 2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is CZDRYBFOQYELKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-18-9-11-19(12-10-18)17-31(29,30)23-15-27(22-8-3-2-7-21(22)23)16-24(28)26-14-20-6-4-5-13-25-20/h2-13,15H,14,16-17H2,1H3,(H,26,28).
What are the key properties of 2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 433.53 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 18573430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).