N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide

C18H15BrN4O3S — CID 55976642

IUPACN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)NCc2cn3cc(Br)ccc3n2)cc1
InChIInChI=1S/C18H15BrN4O3S/c1-2-9-21-27(25,26)16-6-3-13(4-7-16)18(24)20-10-15-12-23-11-14(19)5-8-17(23)22-15/h1,3-8,11-12,21H,9-10H2,(H,20,24)
InChIKeyFGWUNKATMVZZIJ-UHFFFAOYSA-N
MW447.31 g/mol
LogP1.94
Rot. Bonds6

About N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 55976642) has the molecular formula C18H15BrN4O3S and a molecular weight of 447.31 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
PubChem CID55976642
Molecular FormulaC18H15BrN4O3S
Molecular Weight447.31 g/mol
Exact Mass446.00
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)NCc2cn3cc(Br)ccc3n2)cc1
InChIInChI=1S/C18H15BrN4O3S/c1-2-9-21-27(25,26)16-6-3-13(4-7-16)18(24)20-10-15-12-23-11-14(19)5-8-17(23)22-15/h1,3-8,11-12,21H,9-10H2,(H,20,24)
InChIKeyFGWUNKATMVZZIJ-UHFFFAOYSA-N
XLogP1.94
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55977403
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5-triethoxybenzamide
CID 55976377
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(diethylsulfamoyl)-4-methylbenzamide
CID 55976375
N-[(4-chlorophenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 33313792
N-[(3-methylphenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 38295775
N-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-3-oxopropyl]-4-chlorobenzamide
CID 55977015
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 55976892
N-[[4-(dimethylamino)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 33318428
4-(prop-2-ynylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 33322312
N-(2-hydroxypropyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 78856021
N-(4-bromo-2-methylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 46678558
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]-4-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide (CID 55976642) is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cn3cc(Br)ccc3n2)cc1.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is FGWUNKATMVZZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O3S/c1-2-9-21-27(25,26)16-6-3-13(4-7-16)18(24)20-10-15-12-23-11-14(19)5-8-17(23)22-15/h1,3-8,11-12,21H,9-10H2,(H,20,24).
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide?
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 447.31 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 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]-4-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 55976642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).