N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide

C21H24N2O3S2 — CID 16838062

IUPACN-(6-propan-2-yl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)c1ccc2nc(NC(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)sc2c1
InChIInChI=1S/C21H24N2O3S2/c1-13(2)16-7-10-18-19(12-16)27-21(22-18)23-20(24)11-15-5-8-17(9-6-15)28(25,26)14(3)4/h5-10,12-14H,11H2,1-4H3,(H,22,23,24)
InChIKeyAKNZAEZJGWMDRG-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.78
Rot. Bonds6

About N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide

N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 16838062) has the molecular formula C21H24N2O3S2 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(6-propan-2-yl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID16838062
Molecular FormulaC21H24N2O3S2
Molecular Weight416.57 g/mol
Exact Mass416.12
IUPAC NameN-(6-propan-2-yl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)c1ccc2nc(NC(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)sc2c1
InChIInChI=1S/C21H24N2O3S2/c1-13(2)16-7-10-18-19(12-16)27-21(22-18)23-20(24)11-15-5-8-17(9-6-15)28(25,26)14(3)4/h5-10,12-14H,11H2,1-4H3,(H,22,23,24)
InChIKeyAKNZAEZJGWMDRG-UHFFFAOYSA-N
XLogP4.78
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylsulfanylphenyl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 8700884
3,3-diphenyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
CID 43989546
ethyl 2-[[2-(4-propan-2-ylphenyl)acetyl]amino]-1,3-benzothiazole-6-carboxylate
CID 41362512
2-(4-bromophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 2059533
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-(4-propan-2-ylphenyl)acetamide
CID 41362715
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide
CID 41145741
methyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-1,3-benzothiazole-6-carboxylate
CID 41145905
4-[bis(prop-2-enyl)sulfamoyl]-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 18560934
N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 4080204
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1075302
2-(3,4-dimethylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 2666726
3-methylsulfonyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 7267158

Frequently Asked Questions

What is the IUPAC name of N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide (CID 16838062) is N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide is CC(C)c1ccc2nc(NC(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)sc2c1.
What is the InChIKey of N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is AKNZAEZJGWMDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S2/c1-13(2)16-7-10-18-19(12-16)27-21(22-18)23-20(24)11-15-5-8-17(9-6-15)28(25,26)14(3)4/h5-10,12-14H,11H2,1-4H3,(H,22,23,24).
What are the key properties of N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 416.57 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 16838062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).