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

C14H20N4O3S — CID 124844866

IUPAC(2R)-N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide
SMILESC[C@@H](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)/t11-/m1/s1
InChIKeyGZXBPZLJKBMOSM-LLVKDONJSA-N
MW324.41 g/mol
LogP0.48
Rot. Bonds7

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

(2R)-N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide (PubChem CID 124844866) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is (2R)-N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide.

Molecular Properties

Compound Name(2R)-N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide
PubChem CID124844866
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC Name(2R)-N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide
SMILESC[C@@H](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)/t11-/m1/s1
InChIKeyGZXBPZLJKBMOSM-LLVKDONJSA-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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Related Compounds

N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide
CID 91837892
N-(3-indazol-1-ylpropyl)-3-methylsulfonylpropanamide
CID 131934698
(2S)-N-(3-indazol-1-ylpropyl)-2-pyrazol-1-ylbutanamide
CID 97147572
N-(3-indazol-1-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide
CID 72845118
5-indazol-1-yl-N-propan-2-ylpentan-1-amine
CID 62449017
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-indazol-1-ylpropyl)propanamide
CID 77092983
N-(3-indazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 121367715
4-indazol-1-ylbutan-1-ol
CID 62142094
(1S,6R)-6-(3-indazol-1-ylpropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 95738885
2-indazol-1-yl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 122175815
1-(4-chlorobutyl)indazole
CID 62140548
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(3-indazol-1-ylpropyl)acetamide
CID 131914311

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide?
The IUPAC name of (2R)-N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide (CID 124844866) is (2R)-N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide.
What is the SMILES notation for (2R)-N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide?
The canonical SMILES for (2R)-N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide is C[C@@H](NS(C)(=O)=O)C(=O)NCCCn1ncc2ccccc21.
What is the InChIKey of (2R)-N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide?
The InChIKey is GZXBPZLJKBMOSM-LLVKDONJSA-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)/t11-/m1/s1.
What are the key properties of (2R)-N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide?
(2R)-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 (2R)-N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide is sourced from PubChem (CID 124844866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).