N-(2,1,3-benzothiadiazol-4-yl)-2-methoxybenzamide

C14H11N3O2S — CID 711890

IUPACN-(2,1,3-benzothiadiazol-4-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cccc2nsnc12
InChIInChI=1S/C14H11N3O2S/c1-19-12-8-3-2-5-9(12)14(18)15-10-6-4-7-11-13(10)17-20-16-11/h2-8H,1H3,(H,15,18)
InChIKeyZFAILZHHTFSASS-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.95
Rot. Bonds3

About N-(2,1,3-benzothiadiazol-4-yl)-2-methoxybenzamide

N-(2,1,3-benzothiadiazol-4-yl)-2-methoxybenzamide (PubChem CID 711890) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-2-methoxybenzamide
PubChem CID711890
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cccc2nsnc12
InChIInChI=1S/C14H11N3O2S/c1-19-12-8-3-2-5-9(12)14(18)15-10-6-4-7-11-13(10)17-20-16-11/h2-8H,1H3,(H,15,18)
InChIKeyZFAILZHHTFSASS-UHFFFAOYSA-N
XLogP2.95
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,1,3-benzothiadiazol-4-yl)-6-methoxypyridazine-3-carboxamide
CID 90509394
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 7999974
N-(2-acetamidophenyl)-2-methoxybenzamide
CID 113093661
2-methoxy-N-(2-prop-1-en-2-ylphenyl)benzamide
CID 175134678
N-(2,1,3-benzothiadiazol-4-yl)-3,4,5-triethoxybenzamide
CID 4590084
N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-carboxamide
CID 42545444
N-(2,1,3-benzothiadiazol-4-yl)-2-bromo-3-methylbutanamide
CID 43470774
N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-2-methoxybenzamide
CID 3381705
3-[(2-methoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 104740315
2-benzamido-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 35871813
2-[(2-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361063
2-chloro-N-(2-chlorophenyl)-3-methoxybenzamide
CID 45051392

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-methoxybenzamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-methoxybenzamide (CID 711890) is N-(2,1,3-benzothiadiazol-4-yl)-2-methoxybenzamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-2-methoxybenzamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-2-methoxybenzamide is COc1ccccc1C(=O)Nc1cccc2nsnc12.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-2-methoxybenzamide?
The InChIKey is ZFAILZHHTFSASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-19-12-8-3-2-5-9(12)14(18)15-10-6-4-7-11-13(10)17-20-16-11/h2-8H,1H3,(H,15,18).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-2-methoxybenzamide?
N-(2,1,3-benzothiadiazol-4-yl)-2-methoxybenzamide has a molecular weight of 285.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-2-methoxybenzamide is sourced from PubChem (CID 711890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).