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

C22H22N4O3S — CID 25263300

IUPAC3-(dimethylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide
SMILESCN(C)CCC(=O)Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1
InChIInChI=1S/C22H22N4O3S/c1-25(2)13-12-22(27)24-18-11-10-17-15-23-26(20(17)14-18)30(28,29)21-9-5-7-16-6-3-4-8-19(16)21/h3-11,14-15H,12-13H2,1-2H3,(H,24,27)
InChIKeyQYYGTTRRPSTUJY-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.32
Rot. Bonds6

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

3-(dimethylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide (PubChem CID 25263300) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide
PubChem CID25263300
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC Name3-(dimethylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide
SMILESCN(C)CCC(=O)Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1
InChIInChI=1S/C22H22N4O3S/c1-25(2)13-12-22(27)24-18-11-10-17-15-23-26(20(17)14-18)30(28,29)21-9-5-7-16-6-3-4-8-19(16)21/h3-11,14-15H,12-13H2,1-2H3,(H,24,27)
InChIKeyQYYGTTRRPSTUJY-UHFFFAOYSA-N
XLogP3.32
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(dimethylamino)-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-(dimethylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide?
The IUPAC name of 3-(dimethylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide (CID 25263300) is 3-(dimethylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide.
What is the SMILES notation for 3-(dimethylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide?
The canonical SMILES for 3-(dimethylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide is CN(C)CCC(=O)Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1.
What is the InChIKey of 3-(dimethylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide?
The InChIKey is QYYGTTRRPSTUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-25(2)13-12-22(27)24-18-11-10-17-15-23-26(20(17)14-18)30(28,29)21-9-5-7-16-6-3-4-8-19(16)21/h3-11,14-15H,12-13H2,1-2H3,(H,24,27).
What are the key properties of 3-(dimethylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide?
3-(dimethylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide has a molecular weight of 422.51 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide is sourced from PubChem (CID 25263300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).