N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)acetamide

C24H23N3O5S2 — CID 16831353

IUPACN-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCOc1ccc(OC)c2sc(N(Cc3ccccn3)C(=O)Cc3ccc(S(C)(=O)=O)cc3)nc12
InChIInChI=1S/C24H23N3O5S2/c1-31-19-11-12-20(32-2)23-22(19)26-24(33-23)27(15-17-6-4-5-13-25-17)21(28)14-16-7-9-18(10-8-16)34(3,29)30/h4-13H,14-15H2,1-3H3
InChIKeyQVIONRUMSNAEJU-UHFFFAOYSA-N
MW497.60 g/mol
LogP3.89
Rot. Bonds8

About N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)acetamide

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 16831353) has the molecular formula C24H23N3O5S2 and a molecular weight of 497.60 g/mol. Its IUPAC name is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID16831353
Molecular FormulaC24H23N3O5S2
Molecular Weight497.60 g/mol
Exact Mass497.11
IUPAC NameN-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCOc1ccc(OC)c2sc(N(Cc3ccccn3)C(=O)Cc3ccc(S(C)(=O)=O)cc3)nc12
InChIInChI=1S/C24H23N3O5S2/c1-31-19-11-12-20(32-2)23-22(19)26-24(33-23)27(15-17-6-4-5-13-25-17)21(28)14-16-7-9-18(10-8-16)34(3,29)30/h4-13H,14-15H2,1-3H3
InChIKeyQVIONRUMSNAEJU-UHFFFAOYSA-N
XLogP3.89
TPSA98.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 41362831
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 43986809
2-(2-chlorophenyl)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 43987427
4-(diethylsulfamoyl)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43988146
2-(1,3-benzodioxol-5-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 41108329
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 18576576
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide
CID 18582193
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 16848545
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 43986549
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-ethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 41056409
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide
CID 41343122
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonyl-N-(pyridin-2-ylmethyl)propanamide
CID 43988352

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)acetamide (CID 16831353) is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)acetamide is COc1ccc(OC)c2sc(N(Cc3ccccn3)C(=O)Cc3ccc(S(C)(=O)=O)cc3)nc12.
What is the InChIKey of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is QVIONRUMSNAEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5S2/c1-31-19-11-12-20(32-2)23-22(19)26-24(33-23)27(15-17-6-4-5-13-25-17)21(28)14-16-7-9-18(10-8-16)34(3,29)30/h4-13H,14-15H2,1-3H3.
What are the key properties of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)acetamide?
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 497.60 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 16831353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).