N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide

C20H20F3N3O2S — CID 78864072

IUPACN-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESO=C(CSc1ccc(C(F)(F)F)cn1)NCc1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C20H20F3N3O2S/c21-20(22,23)16-6-7-18(25-11-16)29-13-17(27)24-10-14-3-1-4-15(9-14)12-26-8-2-5-19(26)28/h1,3-4,6-7,9,11H,2,5,8,10,12-13H2,(H,24,27)
InChIKeyQCNJNENPEBIUAY-UHFFFAOYSA-N
MW423.46 g/mol
LogP3.63
Rot. Bonds7

About N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide

N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 78864072) has the molecular formula C20H20F3N3O2S and a molecular weight of 423.46 g/mol. Its IUPAC name is N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID78864072
Molecular FormulaC20H20F3N3O2S
Molecular Weight423.46 g/mol
Exact Mass423.12
IUPAC NameN-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESO=C(CSc1ccc(C(F)(F)F)cn1)NCc1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C20H20F3N3O2S/c21-20(22,23)16-6-7-18(25-11-16)29-13-17(27)24-10-14-3-1-4-15(9-14)12-26-8-2-5-19(26)28/h1,3-4,6-7,9,11H,2,5,8,10,12-13H2,(H,24,27)
InChIKeyQCNJNENPEBIUAY-UHFFFAOYSA-N
XLogP3.63
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(phenoxymethyl)phenyl]methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 55903101
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 55715793
N-(2-phenylethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 17440632
1-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]urea
CID 78890451
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 41460141
1-[(3-methylphenyl)methyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 38387385
2-(1-adamantyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 78868533
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 60583834
N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 78884282
4-(2-methylsulfanylimidazol-1-yl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 78888342
trans-(1R,2R)-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131992
3-[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]propanoic acid
CID 119140122

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (CID 78864072) is N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is O=C(CSc1ccc(C(F)(F)F)cn1)NCc1cccc(CN2CCCC2=O)c1.
What is the InChIKey of N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is QCNJNENPEBIUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2S/c21-20(22,23)16-6-7-18(25-11-16)29-13-17(27)24-10-14-3-1-4-15(9-14)12-26-8-2-5-19(26)28/h1,3-4,6-7,9,11H,2,5,8,10,12-13H2,(H,24,27).
What are the key properties of N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 423.46 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 78864072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).