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

C18H13N3O3S — CID 51064565

IUPACN-(2,1,3-benzothiadiazol-4-yl)-6-ethyl-4-oxochromene-2-carboxamide
SMILESCCc1ccc2oc(C(=O)Nc3cccc4nsnc34)cc(=O)c2c1
InChIInChI=1S/C18H13N3O3S/c1-2-10-6-7-15-11(8-10)14(22)9-16(24-15)18(23)19-12-4-3-5-13-17(12)21-25-20-13/h3-9H,2H2,1H3,(H,19,23)
InChIKeyDVBUODWQVUVQQB-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.61
Rot. Bonds3

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

N-(2,1,3-benzothiadiazol-4-yl)-6-ethyl-4-oxochromene-2-carboxamide (PubChem CID 51064565) has the molecular formula C18H13N3O3S and a molecular weight of 351.39 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-6-ethyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-6-ethyl-4-oxochromene-2-carboxamide
PubChem CID51064565
Molecular FormulaC18H13N3O3S
Molecular Weight351.39 g/mol
Exact Mass351.07
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-6-ethyl-4-oxochromene-2-carboxamide
SMILESCCc1ccc2oc(C(=O)Nc3cccc4nsnc34)cc(=O)c2c1
InChIInChI=1S/C18H13N3O3S/c1-2-10-6-7-15-11(8-10)14(22)9-16(24-15)18(23)19-12-4-3-5-13-17(12)21-25-20-13/h3-9H,2H2,1H3,(H,19,23)
InChIKeyDVBUODWQVUVQQB-UHFFFAOYSA-N
XLogP3.61
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
CID 4975352
N-(2,1,3-benzothiadiazol-4-yl)-3-[(4-ethylphenyl)sulfonylamino]benzamide
CID 50837971
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 4-ethylbenzoate
CID 7775691
N-(2,1,3-benzothiadiazol-5-yl)-6-methyl-4-oxochromene-2-carboxamide
CID 20897494
6-ethyl-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide
CID 35673708
N-(1H-benzimidazol-2-ylmethyl)-6-ethyl-4-oxochromene-2-carboxamide
CID 21008809
N-(2,1,3-benzothiadiazol-4-yl)-3,4,5-triethoxybenzamide
CID 4590084
N-(2,1,3-benzothiadiazol-4-yl)-3-methoxy-1,2-oxazole-5-carboxamide
CID 90573690
N-(2,1,3-benzothiadiazol-4-yl)-5-(4-bromophenyl)furan-2-carboxamide
CID 1372159
N-(2,1,3-benzothiadiazol-4-yl)-6-ethoxypyrimidine-4-carboxamide
CID 121167615
2-amino-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 110470032
N-(2,1,3-benzothiadiazol-4-yl)-2-ethylbutanamide
CID 20931137

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-6-ethyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-6-ethyl-4-oxochromene-2-carboxamide (CID 51064565) is N-(2,1,3-benzothiadiazol-4-yl)-6-ethyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-6-ethyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-6-ethyl-4-oxochromene-2-carboxamide is CCc1ccc2oc(C(=O)Nc3cccc4nsnc34)cc(=O)c2c1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-6-ethyl-4-oxochromene-2-carboxamide?
The InChIKey is DVBUODWQVUVQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S/c1-2-10-6-7-15-11(8-10)14(22)9-16(24-15)18(23)19-12-4-3-5-13-17(12)21-25-20-13/h3-9H,2H2,1H3,(H,19,23).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-6-ethyl-4-oxochromene-2-carboxamide?
N-(2,1,3-benzothiadiazol-4-yl)-6-ethyl-4-oxochromene-2-carboxamide has a molecular weight of 351.39 g/mol, XLogP of 3.61, 3 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-4-yl)-6-ethyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 51064565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).