3-[2-acetamido-6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide

C23H20N4O4S — CID 90937731

IUPAC3-[2-acetamido-6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCC(=O)Nc1nc2ccc(-c3cccc(S(C)(=O)=O)c3)cn2c1-c1cccc(C(N)=O)c1
InChIInChI=1S/C23H20N4O4S/c1-14(28)25-23-21(16-6-3-7-17(11-16)22(24)29)27-13-18(9-10-20(27)26-23)15-5-4-8-19(12-15)32(2,30)31/h3-13H,1-2H3,(H2,24,29)(H,25,28)
InChIKeyFGXKTESFYAHVAB-UHFFFAOYSA-N
MW448.50 g/mol
LogP3.13
Rot. Bonds5

About 3-[2-acetamido-6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide

3-[2-acetamido-6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 90937731) has the molecular formula C23H20N4O4S and a molecular weight of 448.50 g/mol. Its IUPAC name is 3-[2-acetamido-6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name3-[2-acetamido-6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID90937731
Molecular FormulaC23H20N4O4S
Molecular Weight448.50 g/mol
Exact Mass448.12
IUPAC Name3-[2-acetamido-6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCC(=O)Nc1nc2ccc(-c3cccc(S(C)(=O)=O)c3)cn2c1-c1cccc(C(N)=O)c1
InChIInChI=1S/C23H20N4O4S/c1-14(28)25-23-21(16-6-3-7-17(11-16)22(24)29)27-13-18(9-10-20(27)26-23)15-5-4-8-19(12-15)32(2,30)31/h3-13H,1-2H3,(H2,24,29)(H,25,28)
InChIKeyFGXKTESFYAHVAB-UHFFFAOYSA-N
XLogP3.13
TPSA123.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide
CID 91587206
3-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 59186169
2,2,2-trifluoro-N-[6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide
CID 87563410
3,5-difluoro-4-(3-methylsulfonylphenyl)benzamide
CID 172648780
3-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 167913473
3-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]benzamide
CID 173127804
N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16822896
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-methylsulfonylbenzamide
CID 104592792
3-chloro-N-[7-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide
CID 155550044
(3-methylsulfonylbenzoyl)azanium
CID 163693398
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-methylsulfonylbenzoate
CID 154754103
4-(3-carbamoylphenyl)benzoate
CID 86307207

Frequently Asked Questions

What is the IUPAC name of 3-[2-acetamido-6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of 3-[2-acetamido-6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 90937731) is 3-[2-acetamido-6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for 3-[2-acetamido-6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for 3-[2-acetamido-6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide is CC(=O)Nc1nc2ccc(-c3cccc(S(C)(=O)=O)c3)cn2c1-c1cccc(C(N)=O)c1.
What is the InChIKey of 3-[2-acetamido-6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is FGXKTESFYAHVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4S/c1-14(28)25-23-21(16-6-3-7-17(11-16)22(24)29)27-13-18(9-10-20(27)26-23)15-5-4-8-19(12-15)32(2,30)31/h3-13H,1-2H3,(H2,24,29)(H,25,28).
What are the key properties of 3-[2-acetamido-6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide?
3-[2-acetamido-6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 448.50 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-acetamido-6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 90937731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).