N-[(2-fluorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C14H15FN2O3S2 — CID 9142227

IUPACN-[(2-fluorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NCc1ccccc1F)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H15FN2O3S2/c1-17(22(19,20)14-7-4-8-21-14)10-13(18)16-9-11-5-2-3-6-12(11)15/h2-8H,9-10H2,1H3,(H,16,18)
InChIKeyVSMRQQKLLKIVEU-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.82
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-[(2-fluorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 9142227) has the molecular formula C14H15FN2O3S2 and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID9142227
Molecular FormulaC14H15FN2O3S2
Molecular Weight342.42 g/mol
Exact Mass342.05
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NCc1ccccc1F)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H15FN2O3S2/c1-17(22(19,20)14-7-4-8-21-14)10-13(18)16-9-11-5-2-3-6-12(11)15/h2-8H,9-10H2,1H3,(H,16,18)
InChIKeyVSMRQQKLLKIVEU-UHFFFAOYSA-N
XLogP1.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide
CID 60668235
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 24504139
N-(2-hydroxy-2-methylpropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 65109706
N-(2-hydroxypropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 43418420
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 24548688
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 18230583
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentylacetamide
CID 18108266
N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115612731
N-tert-butyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4190570
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 110335622
5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]pentanoic acid
CID 62032128
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 9142227) is N-[(2-fluorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is CN(CC(=O)NCc1ccccc1F)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is VSMRQQKLLKIVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S2/c1-17(22(19,20)14-7-4-8-21-14)10-13(18)16-9-11-5-2-3-6-12(11)15/h2-8H,9-10H2,1H3,(H,16,18).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-[(2-fluorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 342.42 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 9142227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).