N-[[3-(methoxymethyl)phenyl]methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide

C20H23N3O2S — CID 86990955

IUPACN-[[3-(methoxymethyl)phenyl]methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
SMILESCOCc1cccc(CNC(=O)CSCc2cn3cc(C)ccc3n2)c1
InChIInChI=1S/C20H23N3O2S/c1-15-6-7-19-22-18(11-23(19)10-15)13-26-14-20(24)21-9-16-4-3-5-17(8-16)12-25-2/h3-8,10-11H,9,12-14H2,1-2H3,(H,21,24)
InChIKeyNSPNVOSOQHYAMJ-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.34
Rot. Bonds8

About N-[[3-(methoxymethyl)phenyl]methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide

N-[[3-(methoxymethyl)phenyl]methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide (PubChem CID 86990955) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)phenyl]methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)phenyl]methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
PubChem CID86990955
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[[3-(methoxymethyl)phenyl]methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
SMILESCOCc1cccc(CNC(=O)CSCc2cn3cc(C)ccc3n2)c1
InChIInChI=1S/C20H23N3O2S/c1-15-6-7-19-22-18(11-23(19)10-15)13-26-14-20(24)21-9-16-4-3-5-17(8-16)12-25-2/h3-8,10-11H,9,12-14H2,1-2H3,(H,21,24)
InChIKeyNSPNVOSOQHYAMJ-UHFFFAOYSA-N
XLogP3.34
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 86849285
2-[(4-bromophenyl)methylsulfanyl]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 112827066
2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-N-prop-2-enylacetamide
CID 86920922
N-[2-(methylamino)propyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 120827427
N-(2-amino-2-phenylethyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 119528901
N-[2-(4-aminophenyl)ethyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide;dihydrochloride
CID 119548962
N-[(2R)-2-(ethylamino)propyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 120654185
2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-N-(2-piperidin-1-ylethyl)acetamide
CID 86990583
N-butan-2-yl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 86920911
N-[(2-hydroxycyclopentyl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 111471196
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 86984925
(2S)-2-[[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]amino]hexanoic acid
CID 120615238

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide?
The IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide (CID 86990955) is N-[[3-(methoxymethyl)phenyl]methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[[3-(methoxymethyl)phenyl]methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-[[3-(methoxymethyl)phenyl]methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide is COCc1cccc(CNC(=O)CSCc2cn3cc(C)ccc3n2)c1.
What is the InChIKey of N-[[3-(methoxymethyl)phenyl]methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide?
The InChIKey is NSPNVOSOQHYAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-15-6-7-19-22-18(11-23(19)10-15)13-26-14-20(24)21-9-16-4-3-5-17(8-16)12-25-2/h3-8,10-11H,9,12-14H2,1-2H3,(H,21,24).
What are the key properties of N-[[3-(methoxymethyl)phenyl]methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide?
N-[[3-(methoxymethyl)phenyl]methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide has a molecular weight of 369.49 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)phenyl]methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 86990955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).