4-(4-chlorophenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide

C18H17ClN2O3S — CID 19218843

IUPAC4-(4-chlorophenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide
SMILESCOc1cccc2sc(NC(=O)CCCOc3ccc(Cl)cc3)nc12
InChIInChI=1S/C18H17ClN2O3S/c1-23-14-4-2-5-15-17(14)21-18(25-15)20-16(22)6-3-11-24-13-9-7-12(19)8-10-13/h2,4-5,7-10H,3,6,11H2,1H3,(H,20,21,22)
InChIKeyFMOIPOGONKWGGW-UHFFFAOYSA-N
MW376.87 g/mol
LogP4.76
Rot. Bonds7

About 4-(4-chlorophenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide

4-(4-chlorophenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide (PubChem CID 19218843) has the molecular formula C18H17ClN2O3S and a molecular weight of 376.87 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide
PubChem CID19218843
Molecular FormulaC18H17ClN2O3S
Molecular Weight376.87 g/mol
Exact Mass376.06
IUPAC Name4-(4-chlorophenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide
SMILESCOc1cccc2sc(NC(=O)CCCOc3ccc(Cl)cc3)nc12
InChIInChI=1S/C18H17ClN2O3S/c1-23-14-4-2-5-15-17(14)21-18(25-15)20-16(22)6-3-11-24-13-9-7-12(19)8-10-13/h2,4-5,7-10H,3,6,11H2,1H3,(H,20,21,22)
InChIKeyFMOIPOGONKWGGW-UHFFFAOYSA-N
XLogP4.76
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-chlorophenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)butanamide
CID 19218842
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-methoxyphenoxy)butanamide
CID 108761865
4-(2-bromo-4-ethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 19219670
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-chlorophenoxy)butanamide
CID 108761864
2-(4-chloro-3-methylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 19217431
N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide
CID 24564610
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 19214374
1-(4-ethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 121080246
2-(2,6-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 19217838
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-methylphenoxy)butanamide
CID 108761854
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 2150728
5-(dithiolan-3-yl)-N-(4-methoxy-1,3-benzothiazol-2-yl)pentanamide
CID 24644835

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide?
The IUPAC name of 4-(4-chlorophenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide (CID 19218843) is 4-(4-chlorophenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide?
The canonical SMILES for 4-(4-chlorophenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide is COc1cccc2sc(NC(=O)CCCOc3ccc(Cl)cc3)nc12.
What is the InChIKey of 4-(4-chlorophenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide?
The InChIKey is FMOIPOGONKWGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3S/c1-23-14-4-2-5-15-17(14)21-18(25-15)20-16(22)6-3-11-24-13-9-7-12(19)8-10-13/h2,4-5,7-10H,3,6,11H2,1H3,(H,20,21,22).
What are the key properties of 4-(4-chlorophenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide?
4-(4-chlorophenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide has a molecular weight of 376.87 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide is sourced from PubChem (CID 19218843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).