N-[3-(dimethylsulfamoyl)phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide

C23H22N4O3S2 — CID 35375390

IUPACN-[3-(dimethylsulfamoyl)phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)c1
InChIInChI=1S/C23H22N4O3S2/c1-26(2)32(29,30)21-7-5-6-18(14-21)25-23(28)17-9-11-20(12-10-17)31-16-19-15-27-13-4-3-8-22(27)24-19/h3-15H,16H2,1-2H3,(H,25,28)
InChIKeyWLRSYXMWURXDMH-UHFFFAOYSA-N
MW466.59 g/mol
LogP4.13
Rot. Bonds7

About N-[3-(dimethylsulfamoyl)phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide

N-[3-(dimethylsulfamoyl)phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide (PubChem CID 35375390) has the molecular formula C23H22N4O3S2 and a molecular weight of 466.59 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
PubChem CID35375390
Molecular FormulaC23H22N4O3S2
Molecular Weight466.59 g/mol
Exact Mass466.11
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)c1
InChIInChI=1S/C23H22N4O3S2/c1-26(2)32(29,30)21-7-5-6-18(14-21)25-23(28)17-9-11-20(12-10-17)31-16-19-15-27-13-4-3-8-22(27)24-19/h3-15H,16H2,1-2H3,(H,25,28)
InChIKeyWLRSYXMWURXDMH-UHFFFAOYSA-N
XLogP4.13
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-3-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]benzamide
CID 46514327
N-(4-acetamidophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 31702330
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 33037219
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 39592143
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide
CID 55859593
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 55516145
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7587755
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide
CID 56530937
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(1,3-thiazol-2-yl)benzamide
CID 31758464
N-(2-amino-2-ethylbutyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
CID 119642980
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-prop-2-enylbenzamide
CID 31765000
4-[ethyl(methyl)amino]-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530641

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide (CID 35375390) is N-[3-(dimethylsulfamoyl)phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide is CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
The InChIKey is WLRSYXMWURXDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S2/c1-26(2)32(29,30)21-7-5-6-18(14-21)25-23(28)17-9-11-20(12-10-17)31-16-19-15-27-13-4-3-8-22(27)24-19/h3-15H,16H2,1-2H3,(H,25,28).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
N-[3-(dimethylsulfamoyl)phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide has a molecular weight of 466.59 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 35375390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).