3-acetamido-3-(2,4-difluorophenyl)-N-imidazo[1,2-a]pyridin-3-ylsulfonylpropanamide

C18H16F2N4O4S — CID 166365854

IUPAC3-acetamido-3-(2,4-difluorophenyl)-N-imidazo[1,2-a]pyridin-3-ylsulfonylpropanamide
SMILESCC(=O)NC(CC(=O)NS(=O)(=O)c1cnc2ccccn12)c1ccc(F)cc1F
InChIInChI=1S/C18H16F2N4O4S/c1-11(25)22-15(13-6-5-12(19)8-14(13)20)9-17(26)23-29(27,28)18-10-21-16-4-2-3-7-24(16)18/h2-8,10,15H,9H2,1H3,(H,22,25)(H,23,26)
InChIKeyZSIKBQVIDHENKY-UHFFFAOYSA-N
MW422.41 g/mol
LogP1.68
Rot. Bonds6

About 3-acetamido-3-(2,4-difluorophenyl)-N-imidazo[1,2-a]pyridin-3-ylsulfonylpropanamide

3-acetamido-3-(2,4-difluorophenyl)-N-imidazo[1,2-a]pyridin-3-ylsulfonylpropanamide (PubChem CID 166365854) has the molecular formula C18H16F2N4O4S and a molecular weight of 422.41 g/mol. Its IUPAC name is 3-acetamido-3-(2,4-difluorophenyl)-N-imidazo[1,2-a]pyridin-3-ylsulfonylpropanamide.

Molecular Properties

Compound Name3-acetamido-3-(2,4-difluorophenyl)-N-imidazo[1,2-a]pyridin-3-ylsulfonylpropanamide
PubChem CID166365854
Molecular FormulaC18H16F2N4O4S
Molecular Weight422.41 g/mol
Exact Mass422.09
IUPAC Name3-acetamido-3-(2,4-difluorophenyl)-N-imidazo[1,2-a]pyridin-3-ylsulfonylpropanamide
SMILESCC(=O)NC(CC(=O)NS(=O)(=O)c1cnc2ccccn12)c1ccc(F)cc1F
InChIInChI=1S/C18H16F2N4O4S/c1-11(25)22-15(13-6-5-12(19)8-14(13)20)9-17(26)23-29(27,28)18-10-21-16-4-2-3-7-24(16)18/h2-8,10,15H,9H2,1H3,(H,22,25)(H,23,26)
InChIKeyZSIKBQVIDHENKY-UHFFFAOYSA-N
XLogP1.68
TPSA109.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(2,4-difluorophenyl)-N-imidazo[1,2-a]pyridin-3-ylsulfonylpropanamide?
The IUPAC name of 3-acetamido-3-(2,4-difluorophenyl)-N-imidazo[1,2-a]pyridin-3-ylsulfonylpropanamide (CID 166365854) is 3-acetamido-3-(2,4-difluorophenyl)-N-imidazo[1,2-a]pyridin-3-ylsulfonylpropanamide.
What is the SMILES notation for 3-acetamido-3-(2,4-difluorophenyl)-N-imidazo[1,2-a]pyridin-3-ylsulfonylpropanamide?
The canonical SMILES for 3-acetamido-3-(2,4-difluorophenyl)-N-imidazo[1,2-a]pyridin-3-ylsulfonylpropanamide is CC(=O)NC(CC(=O)NS(=O)(=O)c1cnc2ccccn12)c1ccc(F)cc1F.
What is the InChIKey of 3-acetamido-3-(2,4-difluorophenyl)-N-imidazo[1,2-a]pyridin-3-ylsulfonylpropanamide?
The InChIKey is ZSIKBQVIDHENKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O4S/c1-11(25)22-15(13-6-5-12(19)8-14(13)20)9-17(26)23-29(27,28)18-10-21-16-4-2-3-7-24(16)18/h2-8,10,15H,9H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 3-acetamido-3-(2,4-difluorophenyl)-N-imidazo[1,2-a]pyridin-3-ylsulfonylpropanamide?
3-acetamido-3-(2,4-difluorophenyl)-N-imidazo[1,2-a]pyridin-3-ylsulfonylpropanamide has a molecular weight of 422.41 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(2,4-difluorophenyl)-N-imidazo[1,2-a]pyridin-3-ylsulfonylpropanamide is sourced from PubChem (CID 166365854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).