N-(4-acetamidophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide

C23H20N4O2S — CID 31702330

IUPACN-(4-acetamidophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1
InChIInChI=1S/C23H20N4O2S/c1-16(28)24-18-7-9-19(10-8-18)26-23(29)17-5-11-21(12-6-17)30-15-20-14-27-13-3-2-4-22(27)25-20/h2-14H,15H2,1H3,(H,24,28)(H,26,29)
InChIKeyZSWXEHGYTXEPSN-UHFFFAOYSA-N
MW416.51 g/mol
LogP4.84
Rot. Bonds6

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

N-(4-acetamidophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide (PubChem CID 31702330) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
PubChem CID31702330
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC NameN-(4-acetamidophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1
InChIInChI=1S/C23H20N4O2S/c1-16(28)24-18-7-9-19(10-8-18)26-23(29)17-5-11-21(12-6-17)30-15-20-14-27-13-3-2-4-22(27)25-20/h2-14H,15H2,1H3,(H,24,28)(H,26,29)
InChIKeyZSWXEHGYTXEPSN-UHFFFAOYSA-N
XLogP4.84
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 33037219
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide
CID 51335280
N-ethyl-3-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]benzamide
CID 46514327
N-[[4-(carbamoylamino)phenyl]methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 134046116
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-prop-2-enylbenzamide
CID 31765000
N-[3-(dimethylsulfamoyl)phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 35375390
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 55516145
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(1,3-thiazol-2-yl)benzamide
CID 31758464
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(3-propan-2-yloxypropyl)benzamide
CID 35823533
N-(2-chloro-4-fluorophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 55515874
N-(2-amino-2-ethylbutyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
CID 119642980
N-[(2-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
The IUPAC name of N-(4-acetamidophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide (CID 31702330) is N-(4-acetamidophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide is CC(=O)Nc1ccc(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
The InChIKey is ZSWXEHGYTXEPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c1-16(28)24-18-7-9-19(10-8-18)26-23(29)17-5-11-21(12-6-17)30-15-20-14-27-13-3-2-4-22(27)25-20/h2-14H,15H2,1H3,(H,24,28)(H,26,29).
What are the key properties of N-(4-acetamidophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
N-(4-acetamidophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide has a molecular weight of 416.51 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 31702330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).