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

C18H22F3N3O3S2 — CID 112768545

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NCC(c1cccs1)N(C)C
InChIInChI=1S/C18H22F3N3O3S2/c1-12(17(25)22-11-15(24(2)3)16-8-5-9-28-16)23-29(26,27)14-7-4-6-13(10-14)18(19,20)21/h4-10,12,15,23H,11H2,1-3H3,(H,22,25)
InChIKeyHCGNUJHVTRFRRB-UHFFFAOYSA-N
MW449.52 g/mol
LogP2.85
Rot. Bonds8

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

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 112768545) has the molecular formula C18H22F3N3O3S2 and a molecular weight of 449.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID112768545
Molecular FormulaC18H22F3N3O3S2
Molecular Weight449.52 g/mol
Exact Mass449.11
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NCC(c1cccs1)N(C)C
InChIInChI=1S/C18H22F3N3O3S2/c1-12(17(25)22-11-15(24(2)3)16-8-5-9-28-16)23-29(26,27)14-7-4-6-13(10-14)18(19,20)21/h4-10,12,15,23H,11H2,1-3H3,(H,22,25)
InChIKeyHCGNUJHVTRFRRB-UHFFFAOYSA-N
XLogP2.85
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 112768545) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide is CC(NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NCC(c1cccs1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is HCGNUJHVTRFRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O3S2/c1-12(17(25)22-11-15(24(2)3)16-8-5-9-28-16)23-29(26,27)14-7-4-6-13(10-14)18(19,20)21/h4-10,12,15,23H,11H2,1-3H3,(H,22,25).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide has a molecular weight of 449.52 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 112768545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).