N-[2-(2-fluorophenyl)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide

C13H16FN5O3S — CID 112529386

IUPACN-[2-(2-fluorophenyl)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
SMILESCS(=O)(=O)Nc1cn(CC(=O)NCCc2ccccc2F)nn1
InChIInChI=1S/C13H16FN5O3S/c1-23(21,22)17-12-8-19(18-16-12)9-13(20)15-7-6-10-4-2-3-5-11(10)14/h2-5,8,17H,6-7,9H2,1H3,(H,15,20)
InChIKeyFQWPSHFHSSRJRA-UHFFFAOYSA-N
MW341.37 g/mol
LogP0.15
Rot. Bonds7

About N-[2-(2-fluorophenyl)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide

N-[2-(2-fluorophenyl)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide (PubChem CID 112529386) has the molecular formula C13H16FN5O3S and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
PubChem CID112529386
Molecular FormulaC13H16FN5O3S
Molecular Weight341.37 g/mol
Exact Mass341.10
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
SMILESCS(=O)(=O)Nc1cn(CC(=O)NCCc2ccccc2F)nn1
InChIInChI=1S/C13H16FN5O3S/c1-23(21,22)17-12-8-19(18-16-12)9-13(20)15-7-6-10-4-2-3-5-11(10)14/h2-5,8,17H,6-7,9H2,1H3,(H,15,20)
InChIKeyFQWPSHFHSSRJRA-UHFFFAOYSA-N
XLogP0.15
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-acetamidotriazol-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 112529383
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 115458883
2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-pyridin-3-ylethyl)acetamide
CID 112530359
2-(4-aminopyrazol-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 43445345
N-[1-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112529458
N-(2-chlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112520440
2-[4-(1-aminopropyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 106227941
N-[1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112529265
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
2-[4-(methanesulfonamido)triazol-2-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 112529256
2-(4-acetamidotriazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 112529522

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide (CID 112529386) is N-[2-(2-fluorophenyl)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide is CS(=O)(=O)Nc1cn(CC(=O)NCCc2ccccc2F)nn1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide?
The InChIKey is FQWPSHFHSSRJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O3S/c1-23(21,22)17-12-8-19(18-16-12)9-13(20)15-7-6-10-4-2-3-5-11(10)14/h2-5,8,17H,6-7,9H2,1H3,(H,15,20).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide?
N-[2-(2-fluorophenyl)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide has a molecular weight of 341.37 g/mol, XLogP of 0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide is sourced from PubChem (CID 112529386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).