N-[(1-methylindazol-3-yl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide

C19H22N4O3S — CID 53163959

IUPACN-[(1-methylindazol-3-yl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NCc2nn(C)c3ccccc23)cc1
InChIInChI=1S/C19H22N4O3S/c1-14-7-9-15(10-8-14)27(25,26)21-12-11-19(24)20-13-17-16-5-3-4-6-18(16)23(2)22-17/h3-10,21H,11-13H2,1-2H3,(H,20,24)
InChIKeyHBTPXBZWPWPDOT-UHFFFAOYSA-N
MW386.48 g/mol
LogP1.87
Rot. Bonds7

About N-[(1-methylindazol-3-yl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide

N-[(1-methylindazol-3-yl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 53163959) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[(1-methylindazol-3-yl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(1-methylindazol-3-yl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID53163959
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-[(1-methylindazol-3-yl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NCc2nn(C)c3ccccc23)cc1
InChIInChI=1S/C19H22N4O3S/c1-14-7-9-15(10-8-14)27(25,26)21-12-11-19(24)20-13-17-16-5-3-4-6-18(16)23(2)22-17/h3-10,21H,11-13H2,1-2H3,(H,20,24)
InChIKeyHBTPXBZWPWPDOT-UHFFFAOYSA-N
XLogP1.87
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1-methylindazol-3-yl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide 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

3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 17192146
3-[(4-methylphenyl)sulfonylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 9021108
N-[(1-ethylindazol-3-yl)methyl]-3-(methanesulfonamido)propanamide
CID 91841182
3-[(4-methylphenyl)sulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 8545586
3-[(4-methylphenyl)sulfonylamino]-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide
CID 8969374
2-(benzenesulfonamido)-N-[(1-propan-2-ylindazol-3-yl)methyl]acetamide
CID 53164078
N-[2-(methylamino)propyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 120831447
N-(2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 17154113
3-[(4-methylphenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)propanamide
CID 9205175
N-[(4-methylphenyl)methyl]-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide
CID 17154248
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylpropanamide
CID 33338052
N-(4-anilinophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 46554404

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindazol-3-yl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[(1-methylindazol-3-yl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide (CID 53163959) is N-[(1-methylindazol-3-yl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[(1-methylindazol-3-yl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[(1-methylindazol-3-yl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)NCc2nn(C)c3ccccc23)cc1.
What is the InChIKey of N-[(1-methylindazol-3-yl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is HBTPXBZWPWPDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-14-7-9-15(10-8-14)27(25,26)21-12-11-19(24)20-13-17-16-5-3-4-6-18(16)23(2)22-17/h3-10,21H,11-13H2,1-2H3,(H,20,24).
What are the key properties of N-[(1-methylindazol-3-yl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide?
N-[(1-methylindazol-3-yl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 386.48 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindazol-3-yl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 53163959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).