2,2,2-trifluoroethyl N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]carbamate

C10H13F3N2O4S2 — CID 47016229

IUPAC2,2,2-trifluoroethyl N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]carbamate
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)OCC(F)(F)F)s1
InChIInChI=1S/C10H13F3N2O4S2/c1-15(2)21(17,18)8-4-3-7(20-8)5-14-9(16)19-6-10(11,12)13/h3-4H,5-6H2,1-2H3,(H,14,16)
InChIKeyNOUXPTPXCAXAJI-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.79
Rot. Bonds5

About 2,2,2-trifluoroethyl N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]carbamate

2,2,2-trifluoroethyl N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]carbamate (PubChem CID 47016229) has the molecular formula C10H13F3N2O4S2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]carbamate
PubChem CID47016229
Molecular FormulaC10H13F3N2O4S2
Molecular Weight346.35 g/mol
Exact Mass346.03
IUPAC Name2,2,2-trifluoroethyl N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]carbamate
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)OCC(F)(F)F)s1
InChIInChI=1S/C10H13F3N2O4S2/c1-15(2)21(17,18)8-4-3-7(20-8)5-14-9(16)19-6-10(11,12)13/h3-4H,5-6H2,1-2H3,(H,14,16)
InChIKeyNOUXPTPXCAXAJI-UHFFFAOYSA-N
XLogP1.79
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2,2-trifluoroethyl N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]carbamate (CID 47016229) is 2,2,2-trifluoroethyl N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]carbamate is CN(C)S(=O)(=O)c1ccc(CNC(=O)OCC(F)(F)F)s1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]carbamate?
The InChIKey is NOUXPTPXCAXAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O4S2/c1-15(2)21(17,18)8-4-3-7(20-8)5-14-9(16)19-6-10(11,12)13/h3-4H,5-6H2,1-2H3,(H,14,16).
What are the key properties of 2,2,2-trifluoroethyl N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]carbamate?
2,2,2-trifluoroethyl N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]carbamate has a molecular weight of 346.35 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]carbamate is sourced from PubChem (CID 47016229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).