4-[benzyl(methyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide

C24H23N3O3S2 — CID 41235454

IUPAC4-[benzyl(methyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCCc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)nc12
InChIInChI=1S/C24H23N3O3S2/c1-3-18-10-7-11-21-22(18)25-24(31-21)26-23(28)19-12-14-20(15-13-19)32(29,30)27(2)16-17-8-5-4-6-9-17/h4-15H,3,16H2,1-2H3,(H,25,26,28)
InChIKeyYAQCYFNXHBDJLB-UHFFFAOYSA-N
MW465.60 g/mol
LogP4.93
Rot. Bonds7

About 4-[benzyl(methyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide

4-[benzyl(methyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 41235454) has the molecular formula C24H23N3O3S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is 4-[benzyl(methyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[benzyl(methyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID41235454
Molecular FormulaC24H23N3O3S2
Molecular Weight465.60 g/mol
Exact Mass465.12
IUPAC Name4-[benzyl(methyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCCc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)nc12
InChIInChI=1S/C24H23N3O3S2/c1-3-18-10-7-11-21-22(18)25-24(31-21)26-23(28)19-12-14-20(15-13-19)32(29,30)27(2)16-17-8-5-4-6-9-17/h4-15H,3,16H2,1-2H3,(H,25,26,28)
InChIKeyYAQCYFNXHBDJLB-UHFFFAOYSA-N
XLogP4.93
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[benzyl(methyl)sulfamoyl]-N-(4-bromo-1,3-benzothiazol-2-yl)benzamide
CID 41235456
4-[bis(prop-2-enyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 16825435
4-[cyclohexyl(ethyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 16831380
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 7202698
4-[benzyl(methyl)sulfamoyl]-N-[4-[2-[[4-[benzyl(methyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 4644127
4-[benzyl(propan-2-yl)sulfamoyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41235075
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-phenoxybenzamide
CID 41235427
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 7202719
4-(dipropylsulfamoyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 4614245
4-[benzyl(methyl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 5056068
4-[benzyl(ethyl)sulfamoyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41007497
N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 5009412

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-[benzyl(methyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide (CID 41235454) is 4-[benzyl(methyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-[benzyl(methyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-[benzyl(methyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide is CCc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)nc12.
What is the InChIKey of 4-[benzyl(methyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is YAQCYFNXHBDJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S2/c1-3-18-10-7-11-21-22(18)25-24(31-21)26-23(28)19-12-14-20(15-13-19)32(29,30)27(2)16-17-8-5-4-6-9-17/h4-15H,3,16H2,1-2H3,(H,25,26,28).
What are the key properties of 4-[benzyl(methyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide?
4-[benzyl(methyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 465.60 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 41235454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).