2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]benzamide

C20H19F3N2O3S — CID 34440758

IUPAC2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1ccccc1SCC(=O)N1CCCC1
InChIInChI=1S/C20H19F3N2O3S/c21-20(22,23)28-15-7-5-6-14(12-15)24-19(27)16-8-1-2-9-17(16)29-13-18(26)25-10-3-4-11-25/h1-2,5-9,12H,3-4,10-11,13H2,(H,24,27)
InChIKeyNFSAGGHQEVYSRC-UHFFFAOYSA-N
MW424.44 g/mol
LogP4.55
Rot. Bonds6

About 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]benzamide

2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]benzamide (PubChem CID 34440758) has the molecular formula C20H19F3N2O3S and a molecular weight of 424.44 g/mol. Its IUPAC name is 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]benzamide
PubChem CID34440758
Molecular FormulaC20H19F3N2O3S
Molecular Weight424.44 g/mol
Exact Mass424.11
IUPAC Name2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1ccccc1SCC(=O)N1CCCC1
InChIInChI=1S/C20H19F3N2O3S/c21-20(22,23)28-15-7-5-6-14(12-15)24-19(27)16-8-1-2-9-17(16)29-13-18(26)25-10-3-4-11-25/h1-2,5-9,12H,3-4,10-11,13H2,(H,24,27)
InChIKeyNFSAGGHQEVYSRC-UHFFFAOYSA-N
XLogP4.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]benzamide (CID 34440758) is 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]benzamide is O=C(Nc1cccc(OC(F)(F)F)c1)c1ccccc1SCC(=O)N1CCCC1.
What is the InChIKey of 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is NFSAGGHQEVYSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3S/c21-20(22,23)28-15-7-5-6-14(12-15)24-19(27)16-8-1-2-9-17(16)29-13-18(26)25-10-3-4-11-25/h1-2,5-9,12H,3-4,10-11,13H2,(H,24,27).
What are the key properties of 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]benzamide?
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 424.44 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 34440758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).