2-(4-fluorophenyl)sulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-N-(pyridin-2-ylmethyl)acetamide

C19H20FN5O3S — CID 71468931

IUPAC2-(4-fluorophenyl)sulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(c1nncn1C)N(Cc1ccccn1)C(=O)CS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H20FN5O3S/c1-14(19-23-22-13-24(19)2)25(11-16-5-3-4-10-21-16)18(26)12-29(27,28)17-8-6-15(20)7-9-17/h3-10,13-14H,11-12H2,1-2H3
InChIKeyABVAHKSBWXKPAM-UHFFFAOYSA-N
MW417.47 g/mol
LogP1.91
Rot. Bonds7

About 2-(4-fluorophenyl)sulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-N-(pyridin-2-ylmethyl)acetamide

2-(4-fluorophenyl)sulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 71468931) has the molecular formula C19H20FN5O3S and a molecular weight of 417.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID71468931
Molecular FormulaC19H20FN5O3S
Molecular Weight417.47 g/mol
Exact Mass417.13
IUPAC Name2-(4-fluorophenyl)sulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(c1nncn1C)N(Cc1ccccn1)C(=O)CS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H20FN5O3S/c1-14(19-23-22-13-24(19)2)25(11-16-5-3-4-10-21-16)18(26)12-29(27,28)17-8-6-15(20)7-9-17/h3-10,13-14H,11-12H2,1-2H3
InChIKeyABVAHKSBWXKPAM-UHFFFAOYSA-N
XLogP1.91
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-N-(pyridin-2-ylmethyl)acetamide (CID 71468931) is 2-(4-fluorophenyl)sulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-N-(pyridin-2-ylmethyl)acetamide is CC(c1nncn1C)N(Cc1ccccn1)C(=O)CS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is ABVAHKSBWXKPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3S/c1-14(19-23-22-13-24(19)2)25(11-16-5-3-4-10-21-16)18(26)12-29(27,28)17-8-6-15(20)7-9-17/h3-10,13-14H,11-12H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)sulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-N-(pyridin-2-ylmethyl)acetamide?
2-(4-fluorophenyl)sulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 417.47 g/mol, XLogP of 1.91, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 71468931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).