N-(3-thiophen-2-ylpropyl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]methanesulfonamide

C17H20F3NO3S2 — CID 141000446

IUPACN-(3-thiophen-2-ylpropyl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CCCc1cccs1)CCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H20F3NO3S2/c1-26(22,23)21(9-3-7-16-8-4-12-25-16)10-11-24-15-6-2-5-14(13-15)17(18,19)20/h2,4-6,8,12-13H,3,7,9-11H2,1H3
InChIKeyZAQINIMHXWNSLJ-UHFFFAOYSA-N
MW407.48 g/mol
LogP4.04
Rot. Bonds9

About N-(3-thiophen-2-ylpropyl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]methanesulfonamide

N-(3-thiophen-2-ylpropyl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]methanesulfonamide (PubChem CID 141000446) has the molecular formula C17H20F3NO3S2 and a molecular weight of 407.48 g/mol. Its IUPAC name is N-(3-thiophen-2-ylpropyl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-(3-thiophen-2-ylpropyl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]methanesulfonamide
PubChem CID141000446
Molecular FormulaC17H20F3NO3S2
Molecular Weight407.48 g/mol
Exact Mass407.08
IUPAC NameN-(3-thiophen-2-ylpropyl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CCCc1cccs1)CCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H20F3NO3S2/c1-26(22,23)21(9-3-7-16-8-4-12-25-16)10-11-24-15-6-2-5-14(13-15)17(18,19)20/h2,4-6,8,12-13H,3,7,9-11H2,1H3
InChIKeyZAQINIMHXWNSLJ-UHFFFAOYSA-N
XLogP4.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-thiophen-2-ylpropyl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]methanesulfonamide?
The IUPAC name of N-(3-thiophen-2-ylpropyl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]methanesulfonamide (CID 141000446) is N-(3-thiophen-2-ylpropyl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]methanesulfonamide.
What is the SMILES notation for N-(3-thiophen-2-ylpropyl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]methanesulfonamide?
The canonical SMILES for N-(3-thiophen-2-ylpropyl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]methanesulfonamide is CS(=O)(=O)N(CCCc1cccs1)CCOc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3-thiophen-2-ylpropyl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]methanesulfonamide?
The InChIKey is ZAQINIMHXWNSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO3S2/c1-26(22,23)21(9-3-7-16-8-4-12-25-16)10-11-24-15-6-2-5-14(13-15)17(18,19)20/h2,4-6,8,12-13H,3,7,9-11H2,1H3.
What are the key properties of N-(3-thiophen-2-ylpropyl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]methanesulfonamide?
N-(3-thiophen-2-ylpropyl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]methanesulfonamide has a molecular weight of 407.48 g/mol, XLogP of 4.04, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-thiophen-2-ylpropyl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]methanesulfonamide is sourced from PubChem (CID 141000446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).