N-(2-methoxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide

C16H14N2O3S — CID 1081529

IUPACN-(2-methoxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1c(=O)sc2ccccc21
InChIInChI=1S/C16H14N2O3S/c1-21-13-8-4-2-6-11(13)17-15(19)10-18-12-7-3-5-9-14(12)22-16(18)20/h2-9H,10H2,1H3,(H,17,19)
InChIKeyOCIZIKVAGNHNBN-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.71
Rot. Bonds4

About N-(2-methoxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide

N-(2-methoxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide (PubChem CID 1081529) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
PubChem CID1081529
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC NameN-(2-methoxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1c(=O)sc2ccccc21
InChIInChI=1S/C16H14N2O3S/c1-21-13-8-4-2-6-11(13)17-15(19)10-18-12-7-3-5-9-14(12)22-16(18)20/h2-9H,10H2,1H3,(H,17,19)
InChIKeyOCIZIKVAGNHNBN-UHFFFAOYSA-N
XLogP2.71
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 752445
methyl 4-[[2-(2-oxo-1,3-benzothiazol-3-yl)acetyl]amino]benzoate
CID 22423105
N-(2,4-difluorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 1096308
2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-(2-methoxyphenyl)acetamide
CID 3432119
N-(2,4-dichlorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 990869
2-[3-(2-hydroxyethyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 53371249
2-(2-ethylbenzimidazol-1-yl)-N-(2-methoxyphenyl)acetamide
CID 5023490
methyl 2-ethyl-4-[2-(2-methoxyanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 20883357
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methoxyphenyl)propanamide
CID 24554769
N-(2-ethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 767780
3-[2-(2-methoxyphenoxy)ethyl]-1,3-benzothiazol-2-one
CID 656169
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide (CID 1081529) is N-(2-methoxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide is COc1ccccc1NC(=O)Cn1c(=O)sc2ccccc21.
What is the InChIKey of N-(2-methoxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The InChIKey is OCIZIKVAGNHNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-21-13-8-4-2-6-11(13)17-15(19)10-18-12-7-3-5-9-14(12)22-16(18)20/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of N-(2-methoxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
N-(2-methoxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide has a molecular weight of 314.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide is sourced from PubChem (CID 1081529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).