N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

C25H25FN4O4S — CID 154835013

IUPACN-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
SMILESCc1ccc2nc(COc3cccc(C(=O)NCCS(=O)(=O)Nc4ccc(C)c(F)c4)c3)cn2c1
InChIInChI=1S/C25H25FN4O4S/c1-17-6-9-24-28-21(15-30(24)14-17)16-34-22-5-3-4-19(12-22)25(31)27-10-11-35(32,33)29-20-8-7-18(2)23(26)13-20/h3-9,12-15,29H,10-11,16H2,1-2H3,(H,27,31)
InChIKeyOHMYOULRAOMFND-UHFFFAOYSA-N
MW496.56 g/mol
LogP3.84
Rot. Bonds9

About N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (PubChem CID 154835013) has the molecular formula C25H25FN4O4S and a molecular weight of 496.56 g/mol. Its IUPAC name is N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
PubChem CID154835013
Molecular FormulaC25H25FN4O4S
Molecular Weight496.56 g/mol
Exact Mass496.16
IUPAC NameN-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
SMILESCc1ccc2nc(COc3cccc(C(=O)NCCS(=O)(=O)Nc4ccc(C)c(F)c4)c3)cn2c1
InChIInChI=1S/C25H25FN4O4S/c1-17-6-9-24-28-21(15-30(24)14-17)16-34-22-5-3-4-19(12-22)25(31)27-10-11-35(32,33)29-20-8-7-18(2)23(26)13-20/h3-9,12-15,29H,10-11,16H2,1-2H3,(H,27,31)
InChIKeyOHMYOULRAOMFND-UHFFFAOYSA-N
XLogP3.84
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.56
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The IUPAC name of N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (CID 154835013) is N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.
What is the SMILES notation for N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The canonical SMILES for N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is Cc1ccc2nc(COc3cccc(C(=O)NCCS(=O)(=O)Nc4ccc(C)c(F)c4)c3)cn2c1.
What is the InChIKey of N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The InChIKey is OHMYOULRAOMFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O4S/c1-17-6-9-24-28-21(15-30(24)14-17)16-34-22-5-3-4-19(12-22)25(31)27-10-11-35(32,33)29-20-8-7-18(2)23(26)13-20/h3-9,12-15,29H,10-11,16H2,1-2H3,(H,27,31).
What are the key properties of N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide has a molecular weight of 496.56 g/mol, XLogP of 3.84, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is sourced from PubChem (CID 154835013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).