2-(4-ethylsulfonylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide

C18H18N2O3S2 — CID 41145754

IUPAC2-(4-ethylsulfonylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(C)cccc3s2)cc1
InChIInChI=1S/C18H18N2O3S2/c1-3-25(22,23)14-9-7-13(8-10-14)11-16(21)19-18-20-17-12(2)5-4-6-15(17)24-18/h4-10H,3,11H2,1-2H3,(H,19,20,21)
InChIKeyVYZYYXSTSQEXPV-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.58
Rot. Bonds5

About 2-(4-ethylsulfonylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide

2-(4-ethylsulfonylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 41145754) has the molecular formula C18H18N2O3S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID41145754
Molecular FormulaC18H18N2O3S2
Molecular Weight374.49 g/mol
Exact Mass374.08
IUPAC Name2-(4-ethylsulfonylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(C)cccc3s2)cc1
InChIInChI=1S/C18H18N2O3S2/c1-3-25(22,23)14-9-7-13(8-10-14)11-16(21)19-18-20-17-12(2)5-4-6-15(17)24-18/h4-10H,3,11H2,1-2H3,(H,19,20,21)
InChIKeyVYZYYXSTSQEXPV-UHFFFAOYSA-N
XLogP3.58
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide
CID 18587080
2-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2640845
N-(4-methyl-1,3-benzothiazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51250959
2-(4-methoxy-3-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16848036
2-(4-ethylsulfonylphenyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
CID 18587083
2-(2,6-dichlorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 4042100
3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 12646557
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide
CID 41145741
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)acetamide
CID 41139655
N-(4-methyl-1,3-benzothiazol-2-yl)octanamide
CID 42733003
N'-(4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanehydrazide
CID 7599888
2-(1H-indol-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2114847

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4-ethylsulfonylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide (CID 41145754) is 2-(4-ethylsulfonylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(C)cccc3s2)cc1.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is VYZYYXSTSQEXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S2/c1-3-25(22,23)14-9-7-13(8-10-14)11-16(21)19-18-20-17-12(2)5-4-6-15(17)24-18/h4-10H,3,11H2,1-2H3,(H,19,20,21).
What are the key properties of 2-(4-ethylsulfonylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
2-(4-ethylsulfonylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 374.49 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 41145754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).