2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-pyridin-3-ylacetamide

C22H19N3O3S — CID 16935688

IUPAC2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-pyridin-3-ylacetamide
SMILESCc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3cccnc3)c3ccccc23)cc1
InChIInChI=1S/C22H19N3O3S/c1-16-8-10-18(11-9-16)29(27,28)21-14-25(20-7-3-2-6-19(20)21)15-22(26)24-17-5-4-12-23-13-17/h2-14H,15H2,1H3,(H,24,26)
InChIKeyKCWUUXSNAKJPIQ-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.82
Rot. Bonds5

About 2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-pyridin-3-ylacetamide

2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-pyridin-3-ylacetamide (PubChem CID 16935688) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-pyridin-3-ylacetamide
PubChem CID16935688
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-pyridin-3-ylacetamide
SMILESCc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3cccnc3)c3ccccc23)cc1
InChIInChI=1S/C22H19N3O3S/c1-16-8-10-18(11-9-16)29(27,28)21-14-25(20-7-3-2-6-19(20)21)15-22(26)24-17-5-4-12-23-13-17/h2-14H,15H2,1H3,(H,24,26)
InChIKeyKCWUUXSNAKJPIQ-UHFFFAOYSA-N
XLogP3.82
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935668
2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16935690
N-benzyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935583
N-(5-chloro-2-methylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935677
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-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935594
N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16936042
2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 30559600
2-[3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 2137964
N-(3-methylphenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911133
N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16936051

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-pyridin-3-ylacetamide (CID 16935688) is 2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-pyridin-3-ylacetamide is Cc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3cccnc3)c3ccccc23)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-pyridin-3-ylacetamide?
The InChIKey is KCWUUXSNAKJPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-16-8-10-18(11-9-16)29(27,28)21-14-25(20-7-3-2-6-19(20)21)15-22(26)24-17-5-4-12-23-13-17/h2-14H,15H2,1H3,(H,24,26).
What are the key properties of 2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-pyridin-3-ylacetamide?
2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-pyridin-3-ylacetamide has a molecular weight of 405.48 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 16935688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).