N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-cyanophenyl)phenoxy]acetamide

C21H14N4O2S — CID 7670832

IUPACN-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
SMILESN#Cc1ccc(-c2ccc(OCC(=O)Nc3cccc4nsnc34)cc2)cc1
InChIInChI=1S/C21H14N4O2S/c22-12-14-4-6-15(7-5-14)16-8-10-17(11-9-16)27-13-20(26)23-18-2-1-3-19-21(18)25-28-24-19/h1-11H,13H2,(H,23,26)
InChIKeyRWMFPWALIARDMW-UHFFFAOYSA-N
MW386.44 g/mol
LogP4.25
Rot. Bonds5

About N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-cyanophenyl)phenoxy]acetamide

N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-cyanophenyl)phenoxy]acetamide (PubChem CID 7670832) has the molecular formula C21H14N4O2S and a molecular weight of 386.44 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-cyanophenyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
PubChem CID7670832
Molecular FormulaC21H14N4O2S
Molecular Weight386.44 g/mol
Exact Mass386.08
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
SMILESN#Cc1ccc(-c2ccc(OCC(=O)Nc3cccc4nsnc34)cc2)cc1
InChIInChI=1S/C21H14N4O2S/c22-12-14-4-6-15(7-5-14)16-8-10-17(11-9-16)27-13-20(26)23-18-2-1-3-19-21(18)25-28-24-19/h1-11H,13H2,(H,23,26)
InChIKeyRWMFPWALIARDMW-UHFFFAOYSA-N
XLogP4.25
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-aminophenoxy)-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 61027525
N-(2-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7670915
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750717
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 7846830
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 16512082
2-[4-(4-cyanophenyl)phenoxy]-N-(2-ethylphenyl)acetamide
CID 7966721
N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728
2-amino-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 110470032
methyl 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate
CID 3469007
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 7843294
N-(3-acetamido-2-methylphenyl)-2-(4-cyanophenoxy)acetamide
CID 134019347
2-[4-(4-cyanophenyl)phenoxy]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 16595652

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-cyanophenyl)phenoxy]acetamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-cyanophenyl)phenoxy]acetamide (CID 7670832) is N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-cyanophenyl)phenoxy]acetamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-cyanophenyl)phenoxy]acetamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-cyanophenyl)phenoxy]acetamide is N#Cc1ccc(-c2ccc(OCC(=O)Nc3cccc4nsnc34)cc2)cc1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-cyanophenyl)phenoxy]acetamide?
The InChIKey is RWMFPWALIARDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O2S/c22-12-14-4-6-15(7-5-14)16-8-10-17(11-9-16)27-13-20(26)23-18-2-1-3-19-21(18)25-28-24-19/h1-11H,13H2,(H,23,26).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-cyanophenyl)phenoxy]acetamide?
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-cyanophenyl)phenoxy]acetamide has a molecular weight of 386.44 g/mol, XLogP of 4.25, 5 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)-2-[4-(4-cyanophenyl)phenoxy]acetamide is sourced from PubChem (CID 7670832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).