N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide

C24H19N3O4S — CID 55516145

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
SMILESCC(=O)c1cc2c(cc1NC(=O)c1ccc(SCc3cn4ccccc4n3)cc1)OCO2
InChIInChI=1S/C24H19N3O4S/c1-15(28)19-10-21-22(31-14-30-21)11-20(19)26-24(29)16-5-7-18(8-6-16)32-13-17-12-27-9-3-2-4-23(27)25-17/h2-12H,13-14H2,1H3,(H,26,29)
InChIKeyISVBNHRWBGVQHX-UHFFFAOYSA-N
MW445.50 g/mol
LogP4.81
Rot. Bonds6

About N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide (PubChem CID 55516145) has the molecular formula C24H19N3O4S and a molecular weight of 445.50 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
PubChem CID55516145
Molecular FormulaC24H19N3O4S
Molecular Weight445.50 g/mol
Exact Mass445.11
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
SMILESCC(=O)c1cc2c(cc1NC(=O)c1ccc(SCc3cn4ccccc4n3)cc1)OCO2
InChIInChI=1S/C24H19N3O4S/c1-15(28)19-10-21-22(31-14-30-21)11-20(19)26-24(29)16-5-7-18(8-6-16)32-13-17-12-27-9-3-2-4-23(27)25-17/h2-12H,13-14H2,1H3,(H,26,29)
InChIKeyISVBNHRWBGVQHX-UHFFFAOYSA-N
XLogP4.81
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-acetamidophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 31702330
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide
CID 51335280
N-(2-chloro-4-fluorophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 55515874
N-ethyl-3-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]benzamide
CID 46514327
N-[3-(dimethylsulfamoyl)phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 35375390
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-benzamidobenzamide
CID 36753669
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(1,3-thiazol-2-yl)benzamide
CID 31758464
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-prop-2-enylbenzamide
CID 31765000
2-chloro-N-[2-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]ethyl]benzamide
CID 35696945
N-[(2-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 32742009
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(3-propan-2-yloxypropyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide (CID 55516145) is N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide is CC(=O)c1cc2c(cc1NC(=O)c1ccc(SCc3cn4ccccc4n3)cc1)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
The InChIKey is ISVBNHRWBGVQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4S/c1-15(28)19-10-21-22(31-14-30-21)11-20(19)26-24(29)16-5-7-18(8-6-16)32-13-17-12-27-9-3-2-4-23(27)25-17/h2-12H,13-14H2,1H3,(H,26,29).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide has a molecular weight of 445.50 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 55516145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).