2-(4-tert-butylphenoxy)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide

C18H18ClN3O2S — CID 17098726

IUPAC2-(4-tert-butylphenoxy)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2c(Cl)ccc3nsnc23)cc1
InChIInChI=1S/C18H18ClN3O2S/c1-18(2,3)11-4-6-12(7-5-11)24-10-15(23)20-16-13(19)8-9-14-17(16)22-25-21-14/h4-9H,10H2,1-3H3,(H,20,23)
InChIKeyRCDSJNYAPPWEHA-UHFFFAOYSA-N
MW375.88 g/mol
LogP4.66
Rot. Bonds4

About 2-(4-tert-butylphenoxy)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide

2-(4-tert-butylphenoxy)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide (PubChem CID 17098726) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide
PubChem CID17098726
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC Name2-(4-tert-butylphenoxy)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2c(Cl)ccc3nsnc23)cc1
InChIInChI=1S/C18H18ClN3O2S/c1-18(2,3)11-4-6-12(7-5-11)24-10-15(23)20-16-13(19)8-9-14-17(16)22-25-21-14/h4-9H,10H2,1-3H3,(H,20,23)
InChIKeyRCDSJNYAPPWEHA-UHFFFAOYSA-N
XLogP4.66
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide
CID 2994664
N-(2-amino-6-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide
CID 91689044
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-(4-chlorophenoxy)-2-methylpropanamide
CID 17335822
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-(4-nitrophenoxy)acetamide
CID 708714
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
CID 17335846
2-(4-tert-butylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 720094
2-(4-tert-butylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 3380157
2-(aminomethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-ethylbutanamide
CID 115432610
2-(4-tert-butylphenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 802579
3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
CID 65474532
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide
CID 6471882
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide (CID 17098726) is 2-(4-tert-butylphenoxy)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide is CC(C)(C)c1ccc(OCC(=O)Nc2c(Cl)ccc3nsnc23)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide?
The InChIKey is RCDSJNYAPPWEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c1-18(2,3)11-4-6-12(7-5-11)24-10-15(23)20-16-13(19)8-9-14-17(16)22-25-21-14/h4-9H,10H2,1-3H3,(H,20,23).
What are the key properties of 2-(4-tert-butylphenoxy)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide?
2-(4-tert-butylphenoxy)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide has a molecular weight of 375.88 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide is sourced from PubChem (CID 17098726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).