N-(2,1,3-benzothiadiazol-5-yl)-6-methyl-4-oxochromene-2-carboxamide

C17H11N3O3S — CID 20897494

IUPACN-(2,1,3-benzothiadiazol-5-yl)-6-methyl-4-oxochromene-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3ccc4nsnc4c3)cc(=O)c2c1
InChIInChI=1S/C17H11N3O3S/c1-9-2-5-15-11(6-9)14(21)8-16(23-15)17(22)18-10-3-4-12-13(7-10)20-24-19-12/h2-8H,1H3,(H,18,22)
InChIKeyHRNNQGFCEBSPCQ-UHFFFAOYSA-N
MW337.36 g/mol
LogP3.36
Rot. Bonds2

About N-(2,1,3-benzothiadiazol-5-yl)-6-methyl-4-oxochromene-2-carboxamide

N-(2,1,3-benzothiadiazol-5-yl)-6-methyl-4-oxochromene-2-carboxamide (PubChem CID 20897494) has the molecular formula C17H11N3O3S and a molecular weight of 337.36 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-yl)-6-methyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-5-yl)-6-methyl-4-oxochromene-2-carboxamide
PubChem CID20897494
Molecular FormulaC17H11N3O3S
Molecular Weight337.36 g/mol
Exact Mass337.05
IUPAC NameN-(2,1,3-benzothiadiazol-5-yl)-6-methyl-4-oxochromene-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3ccc4nsnc4c3)cc(=O)c2c1
InChIInChI=1S/C17H11N3O3S/c1-9-2-5-15-11(6-9)14(21)8-16(23-15)17(22)18-10-3-4-12-13(7-10)20-24-19-12/h2-8H,1H3,(H,18,22)
InChIKeyHRNNQGFCEBSPCQ-UHFFFAOYSA-N
XLogP3.36
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetylphenyl)-6-methyl-4-oxochromene-2-carboxamide
CID 16648984
N-(2,5-dimethylphenyl)-6-methyl-4-oxochromene-2-carboxamide
CID 23605544
N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methyl-4-oxochromene-2-carboxamide
CID 17454491
6-methyl-4-oxochromene-2-carboxylic acid
CID 688704
6-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
CID 4975352
methyl 6-methyl-4-oxochromene-2-carboxylate
CID 7021690
6-chloro-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide
CID 9068735
N-(2,1,3-benzothiadiazol-4-yl)-6-ethyl-4-oxochromene-2-carboxamide
CID 51064565
6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-2-carboxamide
CID 53045619
N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide
CID 3536636
4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide
CID 108790164
N-(4-tert-butylphenyl)-6-chloro-4-oxochromene-2-carboxamide
CID 9203867

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-5-yl)-6-methyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-5-yl)-6-methyl-4-oxochromene-2-carboxamide (CID 20897494) is N-(2,1,3-benzothiadiazol-5-yl)-6-methyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-5-yl)-6-methyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-5-yl)-6-methyl-4-oxochromene-2-carboxamide is Cc1ccc2oc(C(=O)Nc3ccc4nsnc4c3)cc(=O)c2c1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-5-yl)-6-methyl-4-oxochromene-2-carboxamide?
The InChIKey is HRNNQGFCEBSPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O3S/c1-9-2-5-15-11(6-9)14(21)8-16(23-15)17(22)18-10-3-4-12-13(7-10)20-24-19-12/h2-8H,1H3,(H,18,22).
What are the key properties of N-(2,1,3-benzothiadiazol-5-yl)-6-methyl-4-oxochromene-2-carboxamide?
N-(2,1,3-benzothiadiazol-5-yl)-6-methyl-4-oxochromene-2-carboxamide has a molecular weight of 337.36 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-5-yl)-6-methyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 20897494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).