2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(3-methyl-2-morpholin-4-ylbutyl)benzamide

C24H30N4O2S — CID 55910320

IUPAC2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(3-methyl-2-morpholin-4-ylbutyl)benzamide
SMILESCC(C)C(CNC(=O)c1ccccc1SCc1cn2ccccc2n1)N1CCOCC1
InChIInChI=1S/C24H30N4O2S/c1-18(2)21(27-11-13-30-14-12-27)15-25-24(29)20-7-3-4-8-22(20)31-17-19-16-28-10-6-5-9-23(28)26-19/h3-10,16,18,21H,11-15,17H2,1-2H3,(H,25,29)
InChIKeyFIOBMWHXGSYVFJ-UHFFFAOYSA-N
MW438.60 g/mol
LogP3.71
Rot. Bonds8

About 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(3-methyl-2-morpholin-4-ylbutyl)benzamide

2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(3-methyl-2-morpholin-4-ylbutyl)benzamide (PubChem CID 55910320) has the molecular formula C24H30N4O2S and a molecular weight of 438.60 g/mol. Its IUPAC name is 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(3-methyl-2-morpholin-4-ylbutyl)benzamide.

Molecular Properties

Compound Name2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(3-methyl-2-morpholin-4-ylbutyl)benzamide
PubChem CID55910320
Molecular FormulaC24H30N4O2S
Molecular Weight438.60 g/mol
Exact Mass438.21
IUPAC Name2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(3-methyl-2-morpholin-4-ylbutyl)benzamide
SMILESCC(C)C(CNC(=O)c1ccccc1SCc1cn2ccccc2n1)N1CCOCC1
InChIInChI=1S/C24H30N4O2S/c1-18(2)21(27-11-13-30-14-12-27)15-25-24(29)20-7-3-4-8-22(20)31-17-19-16-28-10-6-5-9-23(28)26-19/h3-10,16,18,21H,11-15,17H2,1-2H3,(H,25,29)
InChIKeyFIOBMWHXGSYVFJ-UHFFFAOYSA-N
XLogP3.71
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide
CID 154858648
N-[2-(ethylamino)-2-oxoethyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 78886751
N-(3-hydroxypropyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 78854545
N-(1-hydroxypropan-2-yl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 78857402
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111930422
2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzamide
CID 110402733
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[2-(2-methylphenyl)ethyl]benzamide
CID 31405985
N-(2-amino-2-ethylbutyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
CID 119643073
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)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 37288276
[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 134048827
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-pyridin-2-ylbenzamide
CID 167974368

Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(3-methyl-2-morpholin-4-ylbutyl)benzamide?
The IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(3-methyl-2-morpholin-4-ylbutyl)benzamide (CID 55910320) is 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(3-methyl-2-morpholin-4-ylbutyl)benzamide.
What is the SMILES notation for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(3-methyl-2-morpholin-4-ylbutyl)benzamide?
The canonical SMILES for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(3-methyl-2-morpholin-4-ylbutyl)benzamide is CC(C)C(CNC(=O)c1ccccc1SCc1cn2ccccc2n1)N1CCOCC1.
What is the InChIKey of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(3-methyl-2-morpholin-4-ylbutyl)benzamide?
The InChIKey is FIOBMWHXGSYVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2S/c1-18(2)21(27-11-13-30-14-12-27)15-25-24(29)20-7-3-4-8-22(20)31-17-19-16-28-10-6-5-9-23(28)26-19/h3-10,16,18,21H,11-15,17H2,1-2H3,(H,25,29).
What are the key properties of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(3-methyl-2-morpholin-4-ylbutyl)benzamide?
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(3-methyl-2-morpholin-4-ylbutyl)benzamide has a molecular weight of 438.60 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(3-methyl-2-morpholin-4-ylbutyl)benzamide is sourced from PubChem (CID 55910320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).