N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide

C18H20N4O4S2 — CID 55585525

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NCc1cn2ccsc2n1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C18H20N4O4S2/c23-17(19-10-14-12-22-7-9-27-18(22)21-14)13-3-5-16(6-4-13)28(24,25)20-11-15-2-1-8-26-15/h3-7,9,12,15,20H,1-2,8,10-11H2,(H,19,23)
InChIKeyCFUQFUJGXAWEBD-UHFFFAOYSA-N
MW420.52 g/mol
LogP1.78
Rot. Bonds7

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 55585525) has the molecular formula C18H20N4O4S2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID55585525
Molecular FormulaC18H20N4O4S2
Molecular Weight420.52 g/mol
Exact Mass420.09
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NCc1cn2ccsc2n1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C18H20N4O4S2/c23-17(19-10-14-12-22-7-9-27-18(22)21-14)13-3-5-16(6-4-13)28(24,25)20-11-15-2-1-8-26-15/h3-7,9,12,15,20H,1-2,8,10-11H2,(H,19,23)
InChIKeyCFUQFUJGXAWEBD-UHFFFAOYSA-N
XLogP1.78
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9117546
N-(1,3-benzothiazol-2-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24543349
N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43003903
N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41129794
N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51163666
N-(4-hydroxybutyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 100703871
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
N-[(3-chlorophenyl)methyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9165383
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46478512
N-[2-(ethylamino)-2-oxoethyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9224830
N-(1,3-benzodioxol-5-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 2946621
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 55585525) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide is O=C(NCc1cn2ccsc2n1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is CFUQFUJGXAWEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S2/c23-17(19-10-14-12-22-7-9-27-18(22)21-14)13-3-5-16(6-4-13)28(24,25)20-11-15-2-1-8-26-15/h3-7,9,12,15,20H,1-2,8,10-11H2,(H,19,23).
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 420.52 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 55585525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).