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

C19H21N3O3S — CID 2272136

IUPACN-(2,1,3-benzothiadiazol-4-yl)-3,5-dipropoxybenzamide
SMILESCCCOc1cc(OCCC)cc(C(=O)Nc2cccc3nsnc23)c1
InChIInChI=1S/C19H21N3O3S/c1-3-8-24-14-10-13(11-15(12-14)25-9-4-2)19(23)20-16-6-5-7-17-18(16)22-26-21-17/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,20,23)
InChIKeyFCFGAVSUZKBBEY-UHFFFAOYSA-N
MW371.46 g/mol
LogP4.52
Rot. Bonds8

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

N-(2,1,3-benzothiadiazol-4-yl)-3,5-dipropoxybenzamide (PubChem CID 2272136) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-3,5-dipropoxybenzamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-3,5-dipropoxybenzamide
PubChem CID2272136
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-3,5-dipropoxybenzamide
SMILESCCCOc1cc(OCCC)cc(C(=O)Nc2cccc3nsnc23)c1
InChIInChI=1S/C19H21N3O3S/c1-3-8-24-14-10-13(11-15(12-14)25-9-4-2)19(23)20-16-6-5-7-17-18(16)22-26-21-17/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,20,23)
InChIKeyFCFGAVSUZKBBEY-UHFFFAOYSA-N
XLogP4.52
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,1,3-benzothiadiazol-4-yl)-3,4,5-triethoxybenzamide
CID 4590084
N-(2,1,3-benzothiadiazol-4-yl)-6-ethoxypyrimidine-4-carboxamide
CID 121167615
N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-propoxybenzamide
CID 2298598
N-(1,3-benzothiazol-2-yl)-3-propoxybenzamide
CID 2271389
3,5-dichloro-4-propoxy-N-quinolin-8-ylbenzamide
CID 39867044
4-propoxy-N-[5-[(4-propoxybenzoyl)amino]naphthalen-1-yl]benzamide
CID 4939588
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 4-butoxy-3-methoxybenzoate
CID 42979562
N-(2,1,3-benzothiadiazol-4-yl)-3-[(4-ethylphenyl)sulfonylamino]benzamide
CID 50837971
N-(2,1,3-benzothiadiazol-4-yl)-3-methoxy-1,2-oxazole-5-carboxamide
CID 90573690
2-(4-aminophenoxy)-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 61027525
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 4-ethylbenzoate
CID 7775691
N-(2-chloro-4-hydroxyphenyl)-3-propoxybenzamide
CID 64789293

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-3,5-dipropoxybenzamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-3,5-dipropoxybenzamide (CID 2272136) is N-(2,1,3-benzothiadiazol-4-yl)-3,5-dipropoxybenzamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-3,5-dipropoxybenzamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-3,5-dipropoxybenzamide is CCCOc1cc(OCCC)cc(C(=O)Nc2cccc3nsnc23)c1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-3,5-dipropoxybenzamide?
The InChIKey is FCFGAVSUZKBBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-3-8-24-14-10-13(11-15(12-14)25-9-4-2)19(23)20-16-6-5-7-17-18(16)22-26-21-17/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,20,23).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-3,5-dipropoxybenzamide?
N-(2,1,3-benzothiadiazol-4-yl)-3,5-dipropoxybenzamide has a molecular weight of 371.46 g/mol, XLogP of 4.52, 8 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)-3,5-dipropoxybenzamide is sourced from PubChem (CID 2272136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).