2,2-dimethyl-N-[2-[5-[[3-(trifluoromethyl)phenyl]sulfamoyl]thiophen-2-yl]ethyl]propanamide

C18H21F3N2O3S2 — CID 166195906

IUPAC2,2-dimethyl-N-[2-[5-[[3-(trifluoromethyl)phenyl]sulfamoyl]thiophen-2-yl]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C18H21F3N2O3S2/c1-17(2,3)16(24)22-10-9-14-7-8-15(27-14)28(25,26)23-13-6-4-5-12(11-13)18(19,20)21/h4-8,11,23H,9-10H2,1-3H3,(H,22,24)
InChIKeyIRDCYGWGWMCREE-UHFFFAOYSA-N
MW434.51 g/mol
LogP4.27
Rot. Bonds6

About 2,2-dimethyl-N-[2-[5-[[3-(trifluoromethyl)phenyl]sulfamoyl]thiophen-2-yl]ethyl]propanamide

2,2-dimethyl-N-[2-[5-[[3-(trifluoromethyl)phenyl]sulfamoyl]thiophen-2-yl]ethyl]propanamide (PubChem CID 166195906) has the molecular formula C18H21F3N2O3S2 and a molecular weight of 434.51 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[5-[[3-(trifluoromethyl)phenyl]sulfamoyl]thiophen-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[5-[[3-(trifluoromethyl)phenyl]sulfamoyl]thiophen-2-yl]ethyl]propanamide
PubChem CID166195906
Molecular FormulaC18H21F3N2O3S2
Molecular Weight434.51 g/mol
Exact Mass434.09
IUPAC Name2,2-dimethyl-N-[2-[5-[[3-(trifluoromethyl)phenyl]sulfamoyl]thiophen-2-yl]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C18H21F3N2O3S2/c1-17(2,3)16(24)22-10-9-14-7-8-15(27-14)28(25,26)23-13-6-4-5-12(11-13)18(19,20)21/h4-8,11,23H,9-10H2,1-3H3,(H,22,24)
InChIKeyIRDCYGWGWMCREE-UHFFFAOYSA-N
XLogP4.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[2-[5-[2-(methylamino)propylsulfamoyl]thiophen-2-yl]ethyl]propanamide
CID 120824426
2,2-dimethyl-N-[5-[[3-(trifluoromethyl)phenyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 100583010
N-[2-[5-[(3,5-dimethylphenyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
CID 47068610
N-(3-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
CID 106060431
5-pyrazolidin-3-yl-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 75975226
N-[5-[[3-(trifluoromethyl)phenyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 100546980
N-[3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
CID 3814100
2-fluoro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 5088355
3,5-ditert-butyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 4546210
3-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanoate
CID 9235026
N-propyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26823127
5-ethyl-N-(3-fluorophenyl)thiophene-2-sulfonamide
CID 47309123

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[5-[[3-(trifluoromethyl)phenyl]sulfamoyl]thiophen-2-yl]ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[5-[[3-(trifluoromethyl)phenyl]sulfamoyl]thiophen-2-yl]ethyl]propanamide (CID 166195906) is 2,2-dimethyl-N-[2-[5-[[3-(trifluoromethyl)phenyl]sulfamoyl]thiophen-2-yl]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[5-[[3-(trifluoromethyl)phenyl]sulfamoyl]thiophen-2-yl]ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[5-[[3-(trifluoromethyl)phenyl]sulfamoyl]thiophen-2-yl]ethyl]propanamide is CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of 2,2-dimethyl-N-[2-[5-[[3-(trifluoromethyl)phenyl]sulfamoyl]thiophen-2-yl]ethyl]propanamide?
The InChIKey is IRDCYGWGWMCREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O3S2/c1-17(2,3)16(24)22-10-9-14-7-8-15(27-14)28(25,26)23-13-6-4-5-12(11-13)18(19,20)21/h4-8,11,23H,9-10H2,1-3H3,(H,22,24).
What are the key properties of 2,2-dimethyl-N-[2-[5-[[3-(trifluoromethyl)phenyl]sulfamoyl]thiophen-2-yl]ethyl]propanamide?
2,2-dimethyl-N-[2-[5-[[3-(trifluoromethyl)phenyl]sulfamoyl]thiophen-2-yl]ethyl]propanamide has a molecular weight of 434.51 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[5-[[3-(trifluoromethyl)phenyl]sulfamoyl]thiophen-2-yl]ethyl]propanamide is sourced from PubChem (CID 166195906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).