ethane;2-[(2-hydroxyethylamino)methyl]-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methylsulfonylbenzamide

C28H36N4O4S — CID 123725657

IUPACethane;2-[(2-hydroxyethylamino)methyl]-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methylsulfonylbenzamide
SMILESCC.CC.CS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)c(CNCCO)c1
InChIInChI=1S/C24H24N4O4S.2C2H6/c1-33(31,32)20-9-10-21(18(14-20)15-25-11-13-29)24(30)26-19-7-5-17(6-8-19)22-16-28-12-3-2-4-23(28)27-22;2*1-2/h2-10,12,14,16,25,29H,11,13,15H2,1H3,(H,26,30);2*1-2H3
InChIKeyXONWGZMCJWXLJV-UHFFFAOYSA-N
MW524.69 g/mol
LogP4.79
Rot. Bonds8

About ethane;2-[(2-hydroxyethylamino)methyl]-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methylsulfonylbenzamide

ethane;2-[(2-hydroxyethylamino)methyl]-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methylsulfonylbenzamide (PubChem CID 123725657) has the molecular formula C28H36N4O4S and a molecular weight of 524.69 g/mol. Its IUPAC name is ethane;2-[(2-hydroxyethylamino)methyl]-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methylsulfonylbenzamide.

Molecular Properties

Compound Nameethane;2-[(2-hydroxyethylamino)methyl]-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methylsulfonylbenzamide
PubChem CID123725657
Molecular FormulaC28H36N4O4S
Molecular Weight524.69 g/mol
Exact Mass524.25
IUPAC Nameethane;2-[(2-hydroxyethylamino)methyl]-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methylsulfonylbenzamide
SMILESCC.CC.CS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)c(CNCCO)c1
InChIInChI=1S/C24H24N4O4S.2C2H6/c1-33(31,32)20-9-10-21(18(14-20)15-25-11-13-29)24(30)26-19-7-5-17(6-8-19)22-16-28-12-3-2-4-23(28)27-22;2*1-2/h2-10,12,14,16,25,29H,11,13,15H2,1H3,(H,26,30);2*1-2H3
InChIKeyXONWGZMCJWXLJV-UHFFFAOYSA-N
XLogP4.79
TPSA112.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.69
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;4-imidazo[1,2-a]pyridin-2-ylaniline;N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;2-methyl-4-methylsulfonylbenzoic acid
CID 159465039
2-bromo-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide
CID 3763346
ethane;N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methoxy-2-methylbenzamide
CID 123200330
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-methylbenzamide
CID 40570291
2,5-dichloro-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-3-carboxamide
CID 41451826
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 24598852
1-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2-methylphenyl)urea
CID 121089798
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 24661435
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)acetamide
CID 37051251
3-(dimethylamino)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide
CID 41451744
4-bromo-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide
CID 122284100
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide
CID 7214219

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(2-hydroxyethylamino)methyl]-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methylsulfonylbenzamide?
The IUPAC name of ethane;2-[(2-hydroxyethylamino)methyl]-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methylsulfonylbenzamide (CID 123725657) is ethane;2-[(2-hydroxyethylamino)methyl]-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methylsulfonylbenzamide.
What is the SMILES notation for ethane;2-[(2-hydroxyethylamino)methyl]-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methylsulfonylbenzamide?
The canonical SMILES for ethane;2-[(2-hydroxyethylamino)methyl]-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methylsulfonylbenzamide is CC.CC.CS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)c(CNCCO)c1.
What is the InChIKey of ethane;2-[(2-hydroxyethylamino)methyl]-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methylsulfonylbenzamide?
The InChIKey is XONWGZMCJWXLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S.2C2H6/c1-33(31,32)20-9-10-21(18(14-20)15-25-11-13-29)24(30)26-19-7-5-17(6-8-19)22-16-28-12-3-2-4-23(28)27-22;2*1-2/h2-10,12,14,16,25,29H,11,13,15H2,1H3,(H,26,30);2*1-2H3.
What are the key properties of ethane;2-[(2-hydroxyethylamino)methyl]-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methylsulfonylbenzamide?
ethane;2-[(2-hydroxyethylamino)methyl]-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methylsulfonylbenzamide has a molecular weight of 524.69 g/mol, XLogP of 4.79, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(2-hydroxyethylamino)methyl]-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methylsulfonylbenzamide is sourced from PubChem (CID 123725657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).