N-(2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide

C16H17F3N2O3S2 — CID 24628332

IUPACN-(2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCCc1cccs1
InChIInChI=1S/C16H17F3N2O3S2/c17-16(18,19)12-3-1-5-14(11-12)26(23,24)21-9-7-15(22)20-8-6-13-4-2-10-25-13/h1-5,10-11,21H,6-9H2,(H,20,22)
InChIKeyDPCADYYBEQBABT-UHFFFAOYSA-N
MW406.45 g/mol
LogP2.79
Rot. Bonds8

About N-(2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide

N-(2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 24628332) has the molecular formula C16H17F3N2O3S2 and a molecular weight of 406.45 g/mol. Its IUPAC name is N-(2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID24628332
Molecular FormulaC16H17F3N2O3S2
Molecular Weight406.45 g/mol
Exact Mass406.06
IUPAC NameN-(2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCCc1cccs1
InChIInChI=1S/C16H17F3N2O3S2/c17-16(18,19)12-3-1-5-14(11-12)26(23,24)21-9-7-15(22)20-8-6-13-4-2-10-25-13/h1-5,10-11,21H,6-9H2,(H,20,22)
InChIKeyDPCADYYBEQBABT-UHFFFAOYSA-N
XLogP2.79
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 26534767
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-(trifluoromethyl)benzoate
CID 7603968
N-[2-(methylamino)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride
CID 119503433
N-cyclopropyl-N-(thiophen-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56545933
5-methoxy-N-(2-thiophen-2-ylethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 10299704
2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoylamino]acetic acid
CID 119350481
N-[3-(methylamino)propyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride
CID 119433256
3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanethioamide
CID 62667844
N-[2-(2,6-difluorophenyl)ethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56549006
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55547144
2-methoxyethyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 43050757
4-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]butanoic acid
CID 119170505

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of N-(2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 24628332) is N-(2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-(2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-(2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide is O=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCCc1cccs1.
What is the InChIKey of N-(2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is DPCADYYBEQBABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O3S2/c17-16(18,19)12-3-1-5-14(11-12)26(23,24)21-9-7-15(22)20-8-6-13-4-2-10-25-13/h1-5,10-11,21H,6-9H2,(H,20,22).
What are the key properties of N-(2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
N-(2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide has a molecular weight of 406.45 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 24628332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).