N-methyl-2-(1-thiophen-2-ylethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide

C11H14F3NO3S2 — CID 71979150

IUPACN-methyl-2-(1-thiophen-2-ylethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(c1cccs1)S(=O)(=O)CC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C11H14F3NO3S2/c1-8(9-4-3-5-19-9)20(17,18)6-10(16)15(2)7-11(12,13)14/h3-5,8H,6-7H2,1-2H3
InChIKeyZSVLFTGIUKYSLO-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.24
Rot. Bonds5

About N-methyl-2-(1-thiophen-2-ylethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide

N-methyl-2-(1-thiophen-2-ylethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 71979150) has the molecular formula C11H14F3NO3S2 and a molecular weight of 329.37 g/mol. Its IUPAC name is N-methyl-2-(1-thiophen-2-ylethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(1-thiophen-2-ylethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID71979150
Molecular FormulaC11H14F3NO3S2
Molecular Weight329.37 g/mol
Exact Mass329.04
IUPAC NameN-methyl-2-(1-thiophen-2-ylethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(c1cccs1)S(=O)(=O)CC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C11H14F3NO3S2/c1-8(9-4-3-5-19-9)20(17,18)6-10(16)15(2)7-11(12,13)14/h3-5,8H,6-7H2,1-2H3
InChIKeyZSVLFTGIUKYSLO-UHFFFAOYSA-N
XLogP2.24
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-thiophen-2-ylethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-methyl-2-(1-thiophen-2-ylethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 71979150) is N-methyl-2-(1-thiophen-2-ylethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-methyl-2-(1-thiophen-2-ylethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-methyl-2-(1-thiophen-2-ylethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide is CC(c1cccs1)S(=O)(=O)CC(=O)N(C)CC(F)(F)F.
What is the InChIKey of N-methyl-2-(1-thiophen-2-ylethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ZSVLFTGIUKYSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3S2/c1-8(9-4-3-5-19-9)20(17,18)6-10(16)15(2)7-11(12,13)14/h3-5,8H,6-7H2,1-2H3.
What are the key properties of N-methyl-2-(1-thiophen-2-ylethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide?
N-methyl-2-(1-thiophen-2-ylethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 329.37 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-thiophen-2-ylethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 71979150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).