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

C17H21N3O3S — CID 95740566

IUPAC2-(4-ethylsulfonylphenyl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCc3nccn3C2)cc1
InChIInChI=1S/C17H21N3O3S/c1-2-24(22,23)15-6-3-13(4-7-15)11-17(21)19-14-5-8-16-18-9-10-20(16)12-14/h3-4,6-7,9-10,14H,2,5,8,11-12H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyPOHAMJWGQBSBNF-CQSZACIVSA-N
MW347.44 g/mol
LogP1.35
Rot. Bonds5

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

2-(4-ethylsulfonylphenyl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide (PubChem CID 95740566) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
PubChem CID95740566
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-(4-ethylsulfonylphenyl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCc3nccn3C2)cc1
InChIInChI=1S/C17H21N3O3S/c1-2-24(22,23)15-6-3-13(4-7-15)11-17(21)19-14-5-8-16-18-9-10-20(16)12-14/h3-4,6-7,9-10,14H,2,5,8,11-12H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyPOHAMJWGQBSBNF-CQSZACIVSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95765542
2-(2,3-dihydro-1H-inden-5-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95765541
N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 95139320
2-methoxy-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 86771999
2-propylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide
CID 86772113
3-ethyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]thiophene-2-carboxamide
CID 95765636
2-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide
CID 154775634
4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229254
2-(3-methyl-6-oxopyridazin-1-yl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95761041
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95769926
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 86771953
2-[(2R)-oxolan-2-yl]-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95765472

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide?
The IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide (CID 95740566) is 2-(4-ethylsulfonylphenyl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide is CCS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCc3nccn3C2)cc1.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide?
The InChIKey is POHAMJWGQBSBNF-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-2-24(22,23)15-6-3-13(4-7-15)11-17(21)19-14-5-8-16-18-9-10-20(16)12-14/h3-4,6-7,9-10,14H,2,5,8,11-12H2,1H3,(H,19,21)/t14-/m1/s1.
What are the key properties of 2-(4-ethylsulfonylphenyl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide?
2-(4-ethylsulfonylphenyl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide has a molecular weight of 347.44 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylphenyl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide is sourced from PubChem (CID 95740566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).