N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(diethylsulfamoyl)-4-methylbenzamide

C20H23BrN4O3S — CID 55976375

IUPACN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(diethylsulfamoyl)-4-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCc2cn3cc(Br)ccc3n2)ccc1C
InChIInChI=1S/C20H23BrN4O3S/c1-4-25(5-2)29(27,28)18-10-15(7-6-14(18)3)20(26)22-11-17-13-24-12-16(21)8-9-19(24)23-17/h6-10,12-13H,4-5,11H2,1-3H3,(H,22,26)
InChIKeyQXWUIAIXMBVURZ-UHFFFAOYSA-N
MW479.40 g/mol
LogP3.37
Rot. Bonds7

About N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(diethylsulfamoyl)-4-methylbenzamide

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(diethylsulfamoyl)-4-methylbenzamide (PubChem CID 55976375) has the molecular formula C20H23BrN4O3S and a molecular weight of 479.40 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(diethylsulfamoyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(diethylsulfamoyl)-4-methylbenzamide
PubChem CID55976375
Molecular FormulaC20H23BrN4O3S
Molecular Weight479.40 g/mol
Exact Mass478.07
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(diethylsulfamoyl)-4-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCc2cn3cc(Br)ccc3n2)ccc1C
InChIInChI=1S/C20H23BrN4O3S/c1-4-25(5-2)29(27,28)18-10-15(7-6-14(18)3)20(26)22-11-17-13-24-12-16(21)8-9-19(24)23-17/h6-10,12-13H,4-5,11H2,1-3H3,(H,22,26)
InChIKeyQXWUIAIXMBVURZ-UHFFFAOYSA-N
XLogP3.37
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-3-(diethylsulfamoyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide
CID 8917124
3-(diethylsulfamoyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728860
3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 36695261
N,N-diethyl-2-methyl-5-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2648443
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5-triethoxybenzamide
CID 55976377
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(diethylsulfamoyl)-4-methylbenzamide
CID 55769177
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 55976642
3-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
CID 26241292
3-(diethylsulfamoyl)-4-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55980552
3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide
CID 27231281
3-(diethylsulfamoyl)-4-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119433491
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]benzamide
CID 95140224

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(diethylsulfamoyl)-4-methylbenzamide?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(diethylsulfamoyl)-4-methylbenzamide (CID 55976375) is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(diethylsulfamoyl)-4-methylbenzamide.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(diethylsulfamoyl)-4-methylbenzamide?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(diethylsulfamoyl)-4-methylbenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2cn3cc(Br)ccc3n2)ccc1C.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(diethylsulfamoyl)-4-methylbenzamide?
The InChIKey is QXWUIAIXMBVURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN4O3S/c1-4-25(5-2)29(27,28)18-10-15(7-6-14(18)3)20(26)22-11-17-13-24-12-16(21)8-9-19(24)23-17/h6-10,12-13H,4-5,11H2,1-3H3,(H,22,26).
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(diethylsulfamoyl)-4-methylbenzamide?
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(diethylsulfamoyl)-4-methylbenzamide has a molecular weight of 479.40 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(diethylsulfamoyl)-4-methylbenzamide is sourced from PubChem (CID 55976375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).