2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide

C22H25N3O3S — CID 3661786

IUPAC2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H25N3O3S/c1-16-9-10-18(29(27,28)25-11-5-2-6-12-25)14-21(16)24-22(26)13-17-15-23-20-8-4-3-7-19(17)20/h3-4,7-10,14-15,23H,2,5-6,11-13H2,1H3,(H,24,26)
InChIKeyQWRUHLGPFKOEIB-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.83
Rot. Bonds5

About 2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide

2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 3661786) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID3661786
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H25N3O3S/c1-16-9-10-18(29(27,28)25-11-5-2-6-12-25)14-21(16)24-22(26)13-17-15-23-20-8-4-3-7-19(17)20/h3-4,7-10,14-15,23H,2,5-6,11-13H2,1H3,(H,24,26)
InChIKeyQWRUHLGPFKOEIB-UHFFFAOYSA-N
XLogP3.83
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide (CID 3661786) is 2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is QWRUHLGPFKOEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-16-9-10-18(29(27,28)25-11-5-2-6-12-25)14-21(16)24-22(26)13-17-15-23-20-8-4-3-7-19(17)20/h3-4,7-10,14-15,23H,2,5-6,11-13H2,1H3,(H,24,26).
What are the key properties of 2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 411.53 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 3661786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).