N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide

C14H14FNO3S2 — CID 22581612

IUPACN-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide
SMILESCC(=O)NCC(c1cccs1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO3S2/c1-10(17)16-9-14(13-3-2-8-20-13)21(18,19)12-6-4-11(15)5-7-12/h2-8,14H,9H2,1H3,(H,16,17)
InChIKeyIQHLDOTYGNWGIS-UHFFFAOYSA-N
MW327.40 g/mol
LogP2.54
Rot. Bonds5

About N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide

N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide (PubChem CID 22581612) has the molecular formula C14H14FNO3S2 and a molecular weight of 327.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide
PubChem CID22581612
Molecular FormulaC14H14FNO3S2
Molecular Weight327.40 g/mol
Exact Mass327.04
IUPAC NameN-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide
SMILESCC(=O)NCC(c1cccs1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO3S2/c1-10(17)16-9-14(13-3-2-8-20-13)21(18,19)12-6-4-11(15)5-7-12/h2-8,14H,9H2,1H3,(H,16,17)
InChIKeyIQHLDOTYGNWGIS-UHFFFAOYSA-N
XLogP2.54
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide;hydrochloride
CID 138618957
N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenyl)sulfanylacetamide
CID 16196693
Ethyl 2-((2-((4-fluorophenyl)sulfonyl)-2-(thiophen-2-yl)ethyl)amino)-2-oxoacetate
CID 18574196
US10807974, Example 31
CID 130358176
2-Methyl-N-[2-(4-methylbenzenesulfonyl)-2-(thiophen-2-YL)ethyl]propanamide
CID 22581584
N'-[2-(4-fluorobenzenesulfonyl)-2-(thiophen-2-yl)ethyl]-N-(2-hydroxyethyl)ethanediamide
CID 22584074
1-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)cyclopent-3-ene-1-carboxamide
CID 24816516
N-Tert-butyl-2-[2-(4-fluorobenzenesulfonamido)-N-(thiophen-2-ylmethyl)acetamido]acetamide
CID 3207050
2-(benzenesulfonyl)-N-propylacetamide
CID 4683894
2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide
CID 4786049
N-[2-(4-Methylbenzenesulfonyl)-2-(thiophen-2-YL)ethyl]propanamide
CID 22581583
N-[2-(4-Fluorobenzenesulfonyl)-2-(thiophen-2-YL)ethyl]-2-methylpropanamide
CID 22581613

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide (CID 22581612) is N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide is CC(=O)NCC(c1cccs1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide?
The InChIKey is IQHLDOTYGNWGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S2/c1-10(17)16-9-14(13-3-2-8-20-13)21(18,19)12-6-4-11(15)5-7-12/h2-8,14H,9H2,1H3,(H,16,17).
What are the key properties of N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide?
N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide has a molecular weight of 327.40 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 22581612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).