2-(4-acetamidophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide

C18H17N3O3S — CID 17415551

IUPAC2-(4-acetamidophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1cccc2sc(NC(=O)Cc3ccc(NC(C)=O)cc3)nc12
InChIInChI=1S/C18H17N3O3S/c1-11(22)19-13-8-6-12(7-9-13)10-16(23)20-18-21-17-14(24-2)4-3-5-15(17)25-18/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyKCEMDRBITQPOAP-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.44
Rot. Bonds5

About 2-(4-acetamidophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide

2-(4-acetamidophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 17415551) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID17415551
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name2-(4-acetamidophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1cccc2sc(NC(=O)Cc3ccc(NC(C)=O)cc3)nc12
InChIInChI=1S/C18H17N3O3S/c1-11(22)19-13-8-6-12(7-9-13)10-16(23)20-18-21-17-14(24-2)4-3-5-15(17)25-18/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyKCEMDRBITQPOAP-UHFFFAOYSA-N
XLogP3.44
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide
CID 43952137
2-(3-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 51185209
2-(4-methoxy-3-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16848036
2-(4-methoxyphenyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
CID 8719256
(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036
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-(4-methoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide
CID 24564610
2-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2640845
3-acetamido-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide
CID 47017517
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 4557888
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide
CID 51336701

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide (CID 17415551) is 2-(4-acetamidophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide is COc1cccc2sc(NC(=O)Cc3ccc(NC(C)=O)cc3)nc12.
What is the InChIKey of 2-(4-acetamidophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is KCEMDRBITQPOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-11(22)19-13-8-6-12(7-9-13)10-16(23)20-18-21-17-14(24-2)4-3-5-15(17)25-18/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21,23).
What are the key properties of 2-(4-acetamidophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide?
2-(4-acetamidophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 355.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 17415551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).