N-ethyl-3-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]benzamide

C24H22N4O2S — CID 46514327

IUPACN-ethyl-3-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)c1
InChIInChI=1S/C24H22N4O2S/c1-2-25-23(29)18-6-5-7-19(14-18)27-24(30)17-9-11-21(12-10-17)31-16-20-15-28-13-4-3-8-22(28)26-20/h3-15H,2,16H2,1H3,(H,25,29)(H,27,30)
InChIKeyWRRRPEHBEJHSGU-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.63
Rot. Bonds7

About N-ethyl-3-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]benzamide

N-ethyl-3-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]benzamide (PubChem CID 46514327) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-ethyl-3-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]benzamide
PubChem CID46514327
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC NameN-ethyl-3-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)c1
InChIInChI=1S/C24H22N4O2S/c1-2-25-23(29)18-6-5-7-19(14-18)27-24(30)17-9-11-21(12-10-17)31-16-20-15-28-13-4-3-8-22(28)26-20/h3-15H,2,16H2,1H3,(H,25,29)(H,27,30)
InChIKeyWRRRPEHBEJHSGU-UHFFFAOYSA-N
XLogP4.63
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 31702330
N-[3-(dimethylsulfamoyl)phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 35375390
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide
CID 51335280
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
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-prop-2-enylbenzamide
CID 31765000
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-(3-propan-2-yloxypropyl)benzamide
CID 35823533
N-[[4-(carbamoylamino)phenyl]methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 134046116
4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(3-methylsulfanylphenyl)benzamide
CID 40723689
N-[(2-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 32742009

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]benzamide?
The IUPAC name of N-ethyl-3-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]benzamide (CID 46514327) is N-ethyl-3-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-ethyl-3-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]benzamide?
The canonical SMILES for N-ethyl-3-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]benzamide is CCNC(=O)c1cccc(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)c1.
What is the InChIKey of N-ethyl-3-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]benzamide?
The InChIKey is WRRRPEHBEJHSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c1-2-25-23(29)18-6-5-7-19(14-18)27-24(30)17-9-11-21(12-10-17)31-16-20-15-28-13-4-3-8-22(28)26-20/h3-15H,2,16H2,1H3,(H,25,29)(H,27,30).
What are the key properties of N-ethyl-3-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]benzamide?
N-ethyl-3-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]benzamide has a molecular weight of 430.53 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]benzamide is sourced from PubChem (CID 46514327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).