N-[2-(2-fluorophenyl)-2-methoxypropyl]-2,1,3-benzothiadiazole-5-carboxamide

C17H16FN3O2S — CID 71810626

IUPACN-[2-(2-fluorophenyl)-2-methoxypropyl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESCOC(C)(CNC(=O)c1ccc2nsnc2c1)c1ccccc1F
InChIInChI=1S/C17H16FN3O2S/c1-17(23-2,12-5-3-4-6-13(12)18)10-19-16(22)11-7-8-14-15(9-11)21-24-20-14/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyKAPWWIINPXGKAR-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.12
Rot. Bonds5

About N-[2-(2-fluorophenyl)-2-methoxypropyl]-2,1,3-benzothiadiazole-5-carboxamide

N-[2-(2-fluorophenyl)-2-methoxypropyl]-2,1,3-benzothiadiazole-5-carboxamide (PubChem CID 71810626) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-methoxypropyl]-2,1,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-2,1,3-benzothiadiazole-5-carboxamide
PubChem CID71810626
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESCOC(C)(CNC(=O)c1ccc2nsnc2c1)c1ccccc1F
InChIInChI=1S/C17H16FN3O2S/c1-17(23-2,12-5-3-4-6-13(12)18)10-19-16(22)11-7-8-14-15(9-11)21-24-20-14/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyKAPWWIINPXGKAR-UHFFFAOYSA-N
XLogP3.12
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzamide
CID 90599067
N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-(trifluoromethyl)benzamide
CID 90599146
4-chloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-nitrobenzamide
CID 90599164
2-chloro-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]benzamide
CID 97428331
N-[2-(2-fluorophenyl)-2-methylpropyl]-3,4-dimethoxybenzamide
CID 110441404
N-[2-(2-fluorophenyl)-2-methoxypropyl]naphthalene-1-carboxamide
CID 90599111
2-(3,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide
CID 90599157
ethyl N-[2-(2-fluorophenyl)-2-methoxypropyl]carbamate
CID 71810594
N-[2-(2-fluorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide
CID 90599092
N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-benzofuran-2-carboxamide
CID 90599093
N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 97428375
N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-propan-2-yloxamide
CID 90599312

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-2,1,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-2,1,3-benzothiadiazole-5-carboxamide (CID 71810626) is N-[2-(2-fluorophenyl)-2-methoxypropyl]-2,1,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-methoxypropyl]-2,1,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-methoxypropyl]-2,1,3-benzothiadiazole-5-carboxamide is COC(C)(CNC(=O)c1ccc2nsnc2c1)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-methoxypropyl]-2,1,3-benzothiadiazole-5-carboxamide?
The InChIKey is KAPWWIINPXGKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-17(23-2,12-5-3-4-6-13(12)18)10-19-16(22)11-7-8-14-15(9-11)21-24-20-14/h3-9H,10H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(2-fluorophenyl)-2-methoxypropyl]-2,1,3-benzothiadiazole-5-carboxamide?
N-[2-(2-fluorophenyl)-2-methoxypropyl]-2,1,3-benzothiadiazole-5-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-methoxypropyl]-2,1,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 71810626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).