2-(4-aminophenoxy)-N-(2,1,3-benzothiadiazol-4-yl)acetamide

C14H12N4O2S — CID 61027525

IUPAC2-(4-aminophenoxy)-N-(2,1,3-benzothiadiazol-4-yl)acetamide
SMILESNc1ccc(OCC(=O)Nc2cccc3nsnc23)cc1
InChIInChI=1S/C14H12N4O2S/c15-9-4-6-10(7-5-9)20-8-13(19)16-11-2-1-3-12-14(11)18-21-17-12/h1-7H,8,15H2,(H,16,19)
InChIKeyOWXDYUWWMSTQPL-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.29
Rot. Bonds4

About 2-(4-aminophenoxy)-N-(2,1,3-benzothiadiazol-4-yl)acetamide

2-(4-aminophenoxy)-N-(2,1,3-benzothiadiazol-4-yl)acetamide (PubChem CID 61027525) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-(2,1,3-benzothiadiazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-(2,1,3-benzothiadiazol-4-yl)acetamide
PubChem CID61027525
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name2-(4-aminophenoxy)-N-(2,1,3-benzothiadiazol-4-yl)acetamide
SMILESNc1ccc(OCC(=O)Nc2cccc3nsnc23)cc1
InChIInChI=1S/C14H12N4O2S/c15-9-4-6-10(7-5-9)20-8-13(19)16-11-2-1-3-12-14(11)18-21-17-12/h1-7H,8,15H2,(H,16,19)
InChIKeyOWXDYUWWMSTQPL-UHFFFAOYSA-N
XLogP2.29
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[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-chlorophenoxy)acetate
CID 7750717
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7670832
2-amino-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 110470032
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 16512082
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 7843294
N-(2,1,3-benzothiadiazol-4-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 16522774
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-phenylacetate
CID 7874873
N-(2,1,3-benzothiadiazol-4-yl)-2-(2,5-dichlorophenoxy)acetamide
CID 4857109
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 16523535
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 4-methylbenzoate
CID 7696387
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 4-ethylbenzoate
CID 7775691

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-(2,1,3-benzothiadiazol-4-yl)acetamide?
The IUPAC name of 2-(4-aminophenoxy)-N-(2,1,3-benzothiadiazol-4-yl)acetamide (CID 61027525) is 2-(4-aminophenoxy)-N-(2,1,3-benzothiadiazol-4-yl)acetamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-(2,1,3-benzothiadiazol-4-yl)acetamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-(2,1,3-benzothiadiazol-4-yl)acetamide is Nc1ccc(OCC(=O)Nc2cccc3nsnc23)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-N-(2,1,3-benzothiadiazol-4-yl)acetamide?
The InChIKey is OWXDYUWWMSTQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c15-9-4-6-10(7-5-9)20-8-13(19)16-11-2-1-3-12-14(11)18-21-17-12/h1-7H,8,15H2,(H,16,19).
What are the key properties of 2-(4-aminophenoxy)-N-(2,1,3-benzothiadiazol-4-yl)acetamide?
2-(4-aminophenoxy)-N-(2,1,3-benzothiadiazol-4-yl)acetamide has a molecular weight of 300.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-(2,1,3-benzothiadiazol-4-yl)acetamide is sourced from PubChem (CID 61027525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).