N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide

C14H20N4O3S — CID 91837892

IUPACN-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide
SMILESCC(NS(C)(=O)=O)C(=O)NCCCn1ncc2ccccc21
InChIInChI=1S/C14H20N4O3S/c1-11(17-22(2,20)21)14(19)15-8-5-9-18-13-7-4-3-6-12(13)10-16-18/h3-4,6-7,10-11,17H,5,8-9H2,1-2H3,(H,15,19)
InChIKeyGZXBPZLJKBMOSM-UHFFFAOYSA-N
MW324.41 g/mol
LogP0.48
Rot. Bonds7

About N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide

N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide (PubChem CID 91837892) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide.

Molecular Properties

Compound NameN-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide
PubChem CID91837892
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC NameN-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide
SMILESCC(NS(C)(=O)=O)C(=O)NCCCn1ncc2ccccc21
InChIInChI=1S/C14H20N4O3S/c1-11(17-22(2,20)21)14(19)15-8-5-9-18-13-7-4-3-6-12(13)10-16-18/h3-4,6-7,10-11,17H,5,8-9H2,1-2H3,(H,15,19)
InChIKeyGZXBPZLJKBMOSM-UHFFFAOYSA-N
XLogP0.48
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide?
The IUPAC name of N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide (CID 91837892) is N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide.
What is the SMILES notation for N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide?
The canonical SMILES for N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide is CC(NS(C)(=O)=O)C(=O)NCCCn1ncc2ccccc21.
What is the InChIKey of N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide?
The InChIKey is GZXBPZLJKBMOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-11(17-22(2,20)21)14(19)15-8-5-9-18-13-7-4-3-6-12(13)10-16-18/h3-4,6-7,10-11,17H,5,8-9H2,1-2H3,(H,15,19).
What are the key properties of N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide?
N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide has a molecular weight of 324.41 g/mol, XLogP of 0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide is sourced from PubChem (CID 91837892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).