2-propylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide

C17H21N3O3S — CID 86772113

IUPAC2-propylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)NC1CCc2nccn2C1
InChIInChI=1S/C17H21N3O3S/c1-2-11-24(22,23)15-6-4-3-5-14(15)17(21)19-13-7-8-16-18-9-10-20(16)12-13/h3-6,9-10,13H,2,7-8,11-12H2,1H3,(H,19,21)
InChIKeyUENZCXQDUOFDLD-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.81
Rot. Bonds5

About 2-propylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide

2-propylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide (PubChem CID 86772113) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-propylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide.

Molecular Properties

Compound Name2-propylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide
PubChem CID86772113
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-propylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)NC1CCc2nccn2C1
InChIInChI=1S/C17H21N3O3S/c1-2-11-24(22,23)15-6-4-3-5-14(15)17(21)19-13-7-8-16-18-9-10-20(16)12-13/h3-6,9-10,13H,2,7-8,11-12H2,1H3,(H,19,21)
InChIKeyUENZCXQDUOFDLD-UHFFFAOYSA-N
XLogP1.81
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide?
The IUPAC name of 2-propylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide (CID 86772113) is 2-propylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide.
What is the SMILES notation for 2-propylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide?
The canonical SMILES for 2-propylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide is CCCS(=O)(=O)c1ccccc1C(=O)NC1CCc2nccn2C1.
What is the InChIKey of 2-propylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide?
The InChIKey is UENZCXQDUOFDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-2-11-24(22,23)15-6-4-3-5-14(15)17(21)19-13-7-8-16-18-9-10-20(16)12-13/h3-6,9-10,13H,2,7-8,11-12H2,1H3,(H,19,21).
What are the key properties of 2-propylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide?
2-propylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide has a molecular weight of 347.44 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide is sourced from PubChem (CID 86772113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).