3-[(2-bromophenyl)sulfonylamino]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide

C17H16BrN3O4S2 — CID 24564599

IUPAC3-[(2-bromophenyl)sulfonylamino]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide
SMILESCOc1cccc2sc(NC(=O)CCNS(=O)(=O)c3ccccc3Br)nc12
InChIInChI=1S/C17H16BrN3O4S2/c1-25-12-6-4-7-13-16(12)21-17(26-13)20-15(22)9-10-19-27(23,24)14-8-3-2-5-11(14)18/h2-8,19H,9-10H2,1H3,(H,20,21,22)
InChIKeyWJAAUPDUAJZIFV-UHFFFAOYSA-N
MW470.37 g/mol
LogP3.37
Rot. Bonds7

About 3-[(2-bromophenyl)sulfonylamino]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide

3-[(2-bromophenyl)sulfonylamino]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide (PubChem CID 24564599) has the molecular formula C17H16BrN3O4S2 and a molecular weight of 470.37 g/mol. Its IUPAC name is 3-[(2-bromophenyl)sulfonylamino]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[(2-bromophenyl)sulfonylamino]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide
PubChem CID24564599
Molecular FormulaC17H16BrN3O4S2
Molecular Weight470.37 g/mol
Exact Mass468.98
IUPAC Name3-[(2-bromophenyl)sulfonylamino]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide
SMILESCOc1cccc2sc(NC(=O)CCNS(=O)(=O)c3ccccc3Br)nc12
InChIInChI=1S/C17H16BrN3O4S2/c1-25-12-6-4-7-13-16(12)21-17(26-13)20-15(22)9-10-19-27(23,24)14-8-3-2-5-11(14)18/h2-8,19H,9-10H2,1H3,(H,20,21,22)
InChIKeyWJAAUPDUAJZIFV-UHFFFAOYSA-N
XLogP3.37
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.37
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2-methylbenzamide
CID 46616277
(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036
N-(4-methoxy-1,3-benzothiazol-2-yl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 24564609
3-(cyclohexylcarbamoylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 24627533
2-(4-acetamidophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 17415551
4-(2-bromo-4-ethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 19219670
N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide
CID 24564610
3-[(2-bromophenyl)sulfonylamino]-N-phenylpropanamide
CID 9340921
2-(3-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 51185209
4-(4-chlorophenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 19218843
N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(9-oxoacridin-10-yl)acetamide
CID 30039583
2-(2,6-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 19217838

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)sulfonylamino]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 3-[(2-bromophenyl)sulfonylamino]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide (CID 24564599) is 3-[(2-bromophenyl)sulfonylamino]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 3-[(2-bromophenyl)sulfonylamino]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 3-[(2-bromophenyl)sulfonylamino]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide is COc1cccc2sc(NC(=O)CCNS(=O)(=O)c3ccccc3Br)nc12.
What is the InChIKey of 3-[(2-bromophenyl)sulfonylamino]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is WJAAUPDUAJZIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O4S2/c1-25-12-6-4-7-13-16(12)21-17(26-13)20-15(22)9-10-19-27(23,24)14-8-3-2-5-11(14)18/h2-8,19H,9-10H2,1H3,(H,20,21,22).
What are the key properties of 3-[(2-bromophenyl)sulfonylamino]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide?
3-[(2-bromophenyl)sulfonylamino]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 470.37 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)sulfonylamino]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 24564599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).