2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide

C20H21N3O2S — CID 154858648

IUPAC2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide
SMILESO=C(NC1CCOCC1)c1ccccc1SCc1cn2ccccc2n1
InChIInChI=1S/C20H21N3O2S/c24-20(22-15-8-11-25-12-9-15)17-5-1-2-6-18(17)26-14-16-13-23-10-4-3-7-19(23)21-16/h1-7,10,13,15H,8-9,11-12,14H2,(H,22,24)
InChIKeyVFAAMDLDPRBLOM-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.54
Rot. Bonds5

About 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide

2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide (PubChem CID 154858648) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide
PubChem CID154858648
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide
SMILESO=C(NC1CCOCC1)c1ccccc1SCc1cn2ccccc2n1
InChIInChI=1S/C20H21N3O2S/c24-20(22-15-8-11-25-12-9-15)17-5-1-2-6-18(17)26-14-16-13-23-10-4-3-7-19(23)21-16/h1-7,10,13,15H,8-9,11-12,14H2,(H,22,24)
InChIKeyVFAAMDLDPRBLOM-UHFFFAOYSA-N
XLogP3.54
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 37288276
N-(3-hydroxypropyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 78854545
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(3-methyl-2-morpholin-4-ylbutyl)benzamide
CID 55910320
N-(1-hydroxypropan-2-yl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 78857402
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-pyridin-2-ylbenzamide
CID 167974368
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[2-(2-methylphenyl)ethyl]benzamide
CID 31405985
N-(2-amino-2-methylpropyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
CID 119629702
N-[2-(ethylamino)-2-oxoethyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 78886751
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 35707164
[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 134048827
[(3R)-3-aminopyrrolidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone
CID 119412664
[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 31405038

Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide?
The IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide (CID 154858648) is 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide?
The canonical SMILES for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide is O=C(NC1CCOCC1)c1ccccc1SCc1cn2ccccc2n1.
What is the InChIKey of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide?
The InChIKey is VFAAMDLDPRBLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c24-20(22-15-8-11-25-12-9-15)17-5-1-2-6-18(17)26-14-16-13-23-10-4-3-7-19(23)21-16/h1-7,10,13,15H,8-9,11-12,14H2,(H,22,24).
What are the key properties of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide?
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide has a molecular weight of 367.47 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 154858648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).