2-ethylsulfonyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide

C17H21N3O3S — CID 71937815

IUPAC2-ethylsulfonyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
SMILESCCS(=O)(=O)CC(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1
InChIInChI=1S/C17H21N3O3S/c1-2-24(22,23)12-17(21)18-14-8-6-13(7-9-14)15-11-20-10-4-3-5-16(20)19-15/h6-9,11H,2-5,10,12H2,1H3,(H,18,21)
InChIKeyLLHPGMNZSCNKSG-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.26
Rot. Bonds5

About 2-ethylsulfonyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide

2-ethylsulfonyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide (PubChem CID 71937815) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
PubChem CID71937815
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-ethylsulfonyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
SMILESCCS(=O)(=O)CC(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1
InChIInChI=1S/C17H21N3O3S/c1-2-24(22,23)12-17(21)18-14-8-6-13(7-9-14)15-11-20-10-4-3-5-16(20)19-15/h6-9,11H,2-5,10,12H2,1H3,(H,18,21)
InChIKeyLLHPGMNZSCNKSG-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide?
The IUPAC name of 2-ethylsulfonyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide (CID 71937815) is 2-ethylsulfonyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-ethylsulfonyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-ethylsulfonyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide is CCS(=O)(=O)CC(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1.
What is the InChIKey of 2-ethylsulfonyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide?
The InChIKey is LLHPGMNZSCNKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-2-24(22,23)12-17(21)18-14-8-6-13(7-9-14)15-11-20-10-4-3-5-16(20)19-15/h6-9,11H,2-5,10,12H2,1H3,(H,18,21).
What are the key properties of 2-ethylsulfonyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide?
2-ethylsulfonyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide has a molecular weight of 347.44 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide is sourced from PubChem (CID 71937815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).