2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

C22H20FN5O3S — CID 42278944

IUPAC2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
SMILESO=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)NCCc1nnc2ccccn12
InChIInChI=1S/C22H20FN5O3S/c23-17-6-10-19(11-7-17)32(30,31)27-18-8-4-16(5-9-18)15-22(29)24-13-12-21-26-25-20-3-1-2-14-28(20)21/h1-11,14,27H,12-13,15H2,(H,24,29)
InChIKeyTVKIMYDGXHAQKF-UHFFFAOYSA-N
MW453.50 g/mol
LogP2.57
Rot. Bonds8

About 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide (PubChem CID 42278944) has the molecular formula C22H20FN5O3S and a molecular weight of 453.50 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
PubChem CID42278944
Molecular FormulaC22H20FN5O3S
Molecular Weight453.50 g/mol
Exact Mass453.13
IUPAC Name2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
SMILESO=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)NCCc1nnc2ccccn12
InChIInChI=1S/C22H20FN5O3S/c23-17-6-10-19(11-7-17)32(30,31)27-18-8-4-16(5-9-18)15-22(29)24-13-12-21-26-25-20-3-1-2-14-28(20)21/h1-11,14,27H,12-13,15H2,(H,24,29)
InChIKeyTVKIMYDGXHAQKF-UHFFFAOYSA-N
XLogP2.57
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylsulfonylphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91769600
2-(4-methoxyphenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 27161874
2-(4-fluorophenyl)sulfanyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 51252037
3-(4-fluorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 91947697
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine
CID 111229247
2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 42279085
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]ethanethioamide
CID 62306143
N-[2-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 9164370
2-(2,5-dimethoxyphenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 23474337
3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 24629916
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)acetamide
CID 51163743
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 23474347

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The IUPAC name of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide (CID 42278944) is 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide is O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)NCCc1nnc2ccccn12.
What is the InChIKey of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The InChIKey is TVKIMYDGXHAQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O3S/c23-17-6-10-19(11-7-17)32(30,31)27-18-8-4-16(5-9-18)15-22(29)24-13-12-21-26-25-20-3-1-2-14-28(20)21/h1-11,14,27H,12-13,15H2,(H,24,29).
What are the key properties of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide has a molecular weight of 453.50 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide is sourced from PubChem (CID 42278944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).