N-(2,1,3-benzothiadiazol-4-yl)-3,4,5-triethoxybenzamide

C19H21N3O4S — CID 4590084

IUPACN-(2,1,3-benzothiadiazol-4-yl)-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2cccc3nsnc23)cc(OCC)c1OCC
InChIInChI=1S/C19H21N3O4S/c1-4-24-15-10-12(11-16(25-5-2)18(15)26-6-3)19(23)20-13-8-7-9-14-17(13)22-27-21-14/h7-11H,4-6H2,1-3H3,(H,20,23)
InChIKeyNKPLFNWWWDWCPX-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.14
Rot. Bonds8

About N-(2,1,3-benzothiadiazol-4-yl)-3,4,5-triethoxybenzamide

N-(2,1,3-benzothiadiazol-4-yl)-3,4,5-triethoxybenzamide (PubChem CID 4590084) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-3,4,5-triethoxybenzamide
PubChem CID4590084
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2cccc3nsnc23)cc(OCC)c1OCC
InChIInChI=1S/C19H21N3O4S/c1-4-24-15-10-12(11-16(25-5-2)18(15)26-6-3)19(23)20-13-8-7-9-14-17(13)22-27-21-14/h7-11H,4-6H2,1-3H3,(H,20,23)
InChIKeyNKPLFNWWWDWCPX-UHFFFAOYSA-N
XLogP4.14
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,1,3-benzothiadiazol-4-yl)-3,5-dipropoxybenzamide
CID 2272136
3,4,5-triethoxy-N-quinolin-8-ylbenzamide
CID 1018003
N-(2,1,3-benzothiadiazol-4-yl)-6-ethoxypyrimidine-4-carboxamide
CID 121167615
N-(2,3-dimethylphenyl)-3,4,5-triethoxybenzamide
CID 1219709
N-(1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide
CID 4233786
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008
3,4,5-triethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 1350696
N-(2-cyanophenyl)-3,4,5-triethoxybenzamide
CID 3256014
3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide
CID 7941942
N-tert-butyl-3-chloro-7-[(3,4,5-triethoxybenzoyl)amino]-1-benzothiophene-2-carboxamide
CID 17274391
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
CID 121063780
3,4,5-triethoxy-N-(3-hydroxy-2-pyridinyl)benzamide
CID 18109391

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-3,4,5-triethoxybenzamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-3,4,5-triethoxybenzamide (CID 4590084) is N-(2,1,3-benzothiadiazol-4-yl)-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-3,4,5-triethoxybenzamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)Nc2cccc3nsnc23)cc(OCC)c1OCC.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-3,4,5-triethoxybenzamide?
The InChIKey is NKPLFNWWWDWCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-4-24-15-10-12(11-16(25-5-2)18(15)26-6-3)19(23)20-13-8-7-9-14-17(13)22-27-21-14/h7-11H,4-6H2,1-3H3,(H,20,23).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-3,4,5-triethoxybenzamide?
N-(2,1,3-benzothiadiazol-4-yl)-3,4,5-triethoxybenzamide has a molecular weight of 387.46 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-3,4,5-triethoxybenzamide is sourced from PubChem (CID 4590084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).