3-(methylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide

C21H20N4O3S — CID 25263299

IUPAC3-(methylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide
SMILESCNCCC(=O)Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1
InChIInChI=1S/C21H20N4O3S/c1-22-12-11-21(26)24-17-10-9-16-14-23-25(19(16)13-17)29(27,28)20-8-4-6-15-5-2-3-7-18(15)20/h2-10,13-14,22H,11-12H2,1H3,(H,24,26)
InChIKeyYNSXZIIDDWEFDE-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.97
Rot. Bonds6

About 3-(methylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide

3-(methylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide (PubChem CID 25263299) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is 3-(methylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide.

Molecular Properties

Compound Name3-(methylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide
PubChem CID25263299
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC Name3-(methylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide
SMILESCNCCC(=O)Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1
InChIInChI=1S/C21H20N4O3S/c1-22-12-11-21(26)24-17-10-9-16-14-23-25(19(16)13-17)29(27,28)20-8-4-6-15-5-2-3-7-18(15)20/h2-10,13-14,22H,11-12H2,1H3,(H,24,26)
InChIKeyYNSXZIIDDWEFDE-UHFFFAOYSA-N
XLogP2.97
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(methylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide 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 3-(methylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide?
The IUPAC name of 3-(methylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide (CID 25263299) is 3-(methylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide.
What is the SMILES notation for 3-(methylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide?
The canonical SMILES for 3-(methylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide is CNCCC(=O)Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1.
What is the InChIKey of 3-(methylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide?
The InChIKey is YNSXZIIDDWEFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-22-12-11-21(26)24-17-10-9-16-14-23-25(19(16)13-17)29(27,28)20-8-4-6-15-5-2-3-7-18(15)20/h2-10,13-14,22H,11-12H2,1H3,(H,24,26).
What are the key properties of 3-(methylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide?
3-(methylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide has a molecular weight of 408.48 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide is sourced from PubChem (CID 25263299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).