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

C15H15F3N2O4S2 — CID 18132658

IUPAC2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESCN(CC(=O)NCc1ccccc1OC(F)(F)F)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H15F3N2O4S2/c1-20(26(22,23)14-7-4-8-25-14)10-13(21)19-9-11-5-2-3-6-12(11)24-15(16,17)18/h2-8H,9-10H2,1H3,(H,19,21)
InChIKeyVEDIRSSVFICEES-UHFFFAOYSA-N
MW408.42 g/mol
LogP2.58
Rot. Bonds7

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

2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (PubChem CID 18132658) has the molecular formula C15H15F3N2O4S2 and a molecular weight of 408.42 g/mol. Its IUPAC name is 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
PubChem CID18132658
Molecular FormulaC15H15F3N2O4S2
Molecular Weight408.42 g/mol
Exact Mass408.04
IUPAC Name2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESCN(CC(=O)NCc1ccccc1OC(F)(F)F)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H15F3N2O4S2/c1-20(26(22,23)14-7-4-8-25-14)10-13(21)19-9-11-5-2-3-6-12(11)24-15(16,17)18/h2-8H,9-10H2,1H3,(H,19,21)
InChIKeyVEDIRSSVFICEES-UHFFFAOYSA-N
XLogP2.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (CID 18132658) is 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is CN(CC(=O)NCc1ccccc1OC(F)(F)F)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is VEDIRSSVFICEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O4S2/c1-20(26(22,23)14-7-4-8-25-14)10-13(21)19-9-11-5-2-3-6-12(11)24-15(16,17)18/h2-8H,9-10H2,1H3,(H,19,21).
What are the key properties of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 408.42 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 18132658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).