N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

C19H19FN4O2S — CID 51241673

IUPACN-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
SMILESCN(CCOc1ccccc1F)C(=O)c1ccc(CSc2ncn[nH]2)cc1
InChIInChI=1S/C19H19FN4O2S/c1-24(10-11-26-17-5-3-2-4-16(17)20)18(25)15-8-6-14(7-9-15)12-27-19-21-13-22-23-19/h2-9,13H,10-12H2,1H3,(H,21,22,23)
InChIKeyHXWPOFVBJLDMRJ-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.39
Rot. Bonds8

About N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide (PubChem CID 51241673) has the molecular formula C19H19FN4O2S and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
PubChem CID51241673
Molecular FormulaC19H19FN4O2S
Molecular Weight386.45 g/mol
Exact Mass386.12
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
SMILESCN(CCOc1ccccc1F)C(=O)c1ccc(CSc2ncn[nH]2)cc1
InChIInChI=1S/C19H19FN4O2S/c1-24(10-11-26-17-5-3-2-4-16(17)20)18(25)15-8-6-14(7-9-15)12-27-19-21-13-22-23-19/h2-9,13H,10-12H2,1H3,(H,21,22,23)
InChIKeyHXWPOFVBJLDMRJ-UHFFFAOYSA-N
XLogP3.39
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 78771299
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 30795218
3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 134044702
6-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide
CID 60675865
N-[2-(2-fluorophenoxy)ethyl]-N-methylnaphthalene-2-carboxamide
CID 26960272
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 55360694
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 26960552
2-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 61294548
N-methyl-N-piperidin-4-yl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 119441420
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-propan-2-ylsulfonylbenzamide
CID 55760023
N-(3-phenoxypropyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 33048406
N-[2-(2-fluorophenoxy)ethyl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide
CID 60958776

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide (CID 51241673) is N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide is CN(CCOc1ccccc1F)C(=O)c1ccc(CSc2ncn[nH]2)cc1.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
The InChIKey is HXWPOFVBJLDMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2S/c1-24(10-11-26-17-5-3-2-4-16(17)20)18(25)15-8-6-14(7-9-15)12-27-19-21-13-22-23-19/h2-9,13H,10-12H2,1H3,(H,21,22,23).
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide has a molecular weight of 386.45 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 51241673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).