N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide

C18H17ClN2O3S — CID 16848238

IUPACN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nc3c(OC)ccc(Cl)c3s2)cc1C
InChIInChI=1S/C18H17ClN2O3S/c1-10-8-11(4-6-13(10)23-2)9-15(22)20-18-21-16-14(24-3)7-5-12(19)17(16)25-18/h4-8H,9H2,1-3H3,(H,20,21,22)
InChIKeyHCVKICQPCRSJNH-UHFFFAOYSA-N
MW376.87 g/mol
LogP4.46
Rot. Bonds5

About N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide

N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide (PubChem CID 16848238) has the molecular formula C18H17ClN2O3S and a molecular weight of 376.87 g/mol. Its IUPAC name is N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide
PubChem CID16848238
Molecular FormulaC18H17ClN2O3S
Molecular Weight376.87 g/mol
Exact Mass376.06
IUPAC NameN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nc3c(OC)ccc(Cl)c3s2)cc1C
InChIInChI=1S/C18H17ClN2O3S/c1-10-8-11(4-6-13(10)23-2)9-15(22)20-18-21-16-14(24-3)7-5-12(19)17(16)25-18/h4-8H,9H2,1-3H3,(H,20,21,22)
InChIKeyHCVKICQPCRSJNH-UHFFFAOYSA-N
XLogP4.46
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide
CID 16849484
2-(4-methoxy-3-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16848036
2-(4-ethylphenyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16824377
1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea
CID 121082763
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide
CID 43994670
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848017
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)acetamide
CID 18586958
2-(4-ethylsulfonylphenyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
CID 18587083
1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-(3-methylphenyl)urea
CID 121081229
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43994655
N-(4-chlorophenyl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848482
N-(3,5-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848483

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide?
The IUPAC name of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide (CID 16848238) is N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide.
What is the SMILES notation for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide?
The canonical SMILES for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide is COc1ccc(CC(=O)Nc2nc3c(OC)ccc(Cl)c3s2)cc1C.
What is the InChIKey of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide?
The InChIKey is HCVKICQPCRSJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3S/c1-10-8-11(4-6-13(10)23-2)9-15(22)20-18-21-16-14(24-3)7-5-12(19)17(16)25-18/h4-8H,9H2,1-3H3,(H,20,21,22).
What are the key properties of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide?
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide has a molecular weight of 376.87 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide is sourced from PubChem (CID 16848238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).