3-acetyl-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide

C18H19N3O3S — CID 90570747

IUPAC3-acetyl-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1cnc2ccccn12)S(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C18H19N3O3S/c1-3-20(13-16-12-19-18-9-4-5-10-21(16)18)25(23,24)17-8-6-7-15(11-17)14(2)22/h4-12H,3,13H2,1-2H3
InChIKeyRKAQSAJFBLDJTE-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.75
Rot. Bonds6

About 3-acetyl-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide

3-acetyl-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 90570747) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 3-acetyl-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID90570747
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name3-acetyl-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1cnc2ccccn12)S(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C18H19N3O3S/c1-3-20(13-16-12-19-18-9-4-5-10-21(16)18)25(23,24)17-8-6-7-15(11-17)14(2)22/h4-12H,3,13H2,1-2H3
InChIKeyRKAQSAJFBLDJTE-UHFFFAOYSA-N
XLogP2.75
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-diethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide
CID 90570761
3-acetyl-N-ethyl-N-prop-2-ynylbenzenesulfonamide
CID 78970274
N-ethyl-1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)methanesulfonamide
CID 90570764
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide
CID 90570380
3-(diethylsulfamoyl)benzoyl chloride
CID 7730328
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylpyridine-3-sulfonamide
CID 90570374
3-bromo-N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzamide
CID 90569874
methyl 3-[benzyl(ethyl)sulfamoyl]benzoate
CID 31701224
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-3-methylsulfonylpropanamide
CID 131897855
3-acetyl-N-ethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61253542
3-acetyl-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide
CID 60539379
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide (CID 90570747) is 3-acetyl-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide is CCN(Cc1cnc2ccccn12)S(=O)(=O)c1cccc(C(C)=O)c1.
What is the InChIKey of 3-acetyl-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is RKAQSAJFBLDJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-3-20(13-16-12-19-18-9-4-5-10-21(16)18)25(23,24)17-8-6-7-15(11-17)14(2)22/h4-12H,3,13H2,1-2H3.
What are the key properties of 3-acetyl-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide?
3-acetyl-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 357.44 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 90570747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).