N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-(2-methylphenyl)methanesulfonamide

C18H21N3O2S — CID 110292199

IUPACN-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCCCc1ncc2ccccn12
InChIInChI=1S/C18H21N3O2S/c1-15-7-2-3-8-16(15)14-24(22,23)20-11-6-10-18-19-13-17-9-4-5-12-21(17)18/h2-5,7-9,12-13,20H,6,10-11,14H2,1H3
InChIKeyKDUNEUGIMGPLEG-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.69
Rot. Bonds7

About N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-(2-methylphenyl)methanesulfonamide

N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-(2-methylphenyl)methanesulfonamide (PubChem CID 110292199) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-(2-methylphenyl)methanesulfonamide
PubChem CID110292199
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCCCc1ncc2ccccn12
InChIInChI=1S/C18H21N3O2S/c1-15-7-2-3-8-16(15)14-24(22,23)20-11-6-10-18-19-13-17-9-4-5-12-21(17)18/h2-5,7-9,12-13,20H,6,10-11,14H2,1H3
InChIKeyKDUNEUGIMGPLEG-UHFFFAOYSA-N
XLogP2.69
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-phenylmethanesulfonamide
CID 110292198
N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide
CID 112500601
3-[2-(dimethylsulfamoylamino)ethyl]imidazo[1,5-a]pyridine
CID 38996985
N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-2,2-diphenylacetamide
CID 112500611
N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 110292165
N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-2-(2-methoxyethoxy)ethanesulfonamide
CID 110630897
2-(1,3-dioxoisoindol-2-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)ethanesulfonamide
CID 38996983
2-(2-fluorophenyl)-N-(imidazo[1,5-a]pyridin-3-ylmethyl)ethanesulfonamide
CID 110416171
4-[3-[(2-methylphenyl)methylsulfonylamino]propyl]benzenesulfonamide
CID 110293809
3-(4-chlorophenyl)-N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-2-methylpropanamide
CID 110309721
1-butan-2-yl-3-(3-imidazo[1,5-a]pyridin-3-ylpropyl)urea
CID 110630952
6-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)pyridine-3-sulfonamide
CID 110309581

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-(2-methylphenyl)methanesulfonamide (CID 110292199) is N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-(2-methylphenyl)methanesulfonamide is Cc1ccccc1CS(=O)(=O)NCCCc1ncc2ccccn12.
What is the InChIKey of N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is KDUNEUGIMGPLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-15-7-2-3-8-16(15)14-24(22,23)20-11-6-10-18-19-13-17-9-4-5-12-21(17)18/h2-5,7-9,12-13,20H,6,10-11,14H2,1H3.
What are the key properties of N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-(2-methylphenyl)methanesulfonamide?
N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 343.45 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110292199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).