2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide

C23H25N3O4S — CID 55650137

IUPAC2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H25N3O4S/c1-16-21(19-7-3-4-8-20(19)25-16)22(27)23(28)24-15-17-9-11-18(12-10-17)31(29,30)26-13-5-2-6-14-26/h3-4,7-12,25H,2,5-6,13-15H2,1H3,(H,24,28)
InChIKeyHVLKFNFPDKEUOA-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.15
Rot. Bonds6

About 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide

2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide (PubChem CID 55650137) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
PubChem CID55650137
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H25N3O4S/c1-16-21(19-7-3-4-8-20(19)25-16)22(27)23(28)24-15-17-9-11-18(12-10-17)31(29,30)26-13-5-2-6-14-26/h3-4,7-12,25H,2,5-6,13-15H2,1H3,(H,24,28)
InChIKeyHVLKFNFPDKEUOA-UHFFFAOYSA-N
XLogP3.15
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indole-3-carboxamide
CID 17457202
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide
CID 17248838
1-(2-methyl-1H-indol-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethane-1,2-dione
CID 43063930
2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 17248916
1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 28561875
2-(2-methyl-1H-indol-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxoacetamide
CID 47093388
1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one
CID 60552262
2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 51198880
2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole-3-carboxamide
CID 24617781
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596
2-cyclopentyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 51197507
(3S)-1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 28562114

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide (CID 55650137) is 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide is Cc1[nH]c2ccccc2c1C(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide?
The InChIKey is HVLKFNFPDKEUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-16-21(19-7-3-4-8-20(19)25-16)22(27)23(28)24-15-17-9-11-18(12-10-17)31(29,30)26-13-5-2-6-14-26/h3-4,7-12,25H,2,5-6,13-15H2,1H3,(H,24,28).
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide?
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide has a molecular weight of 439.54 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide is sourced from PubChem (CID 55650137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).