(2S)-N-methyl-4-oxo-N-phenyl-2-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide

C25H26F3N3O2S — CID 158912038

IUPAC(2S)-N-methyl-4-oxo-N-phenyl-2-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide
SMILESCN(C(=O)[C@@H](CC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)Cc1cccs1)c1ccccc1
InChIInChI=1S/C25H26F3N3O2S/c1-30(18-8-3-2-4-9-18)24(33)17(15-20-10-7-13-34-20)14-19(32)16-31-22-12-6-5-11-21(22)23(29-31)25(26,27)28/h2-4,7-10,13,17H,5-6,11-12,14-16H2,1H3/t17-/m0/s1
InChIKeyNNPHOGPHZFWLMP-KRWDZBQOSA-N
MW489.56 g/mol
LogP5.32
Rot. Bonds8

About (2S)-N-methyl-4-oxo-N-phenyl-2-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide

(2S)-N-methyl-4-oxo-N-phenyl-2-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide (PubChem CID 158912038) has the molecular formula C25H26F3N3O2S and a molecular weight of 489.56 g/mol. Its IUPAC name is (2S)-N-methyl-4-oxo-N-phenyl-2-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide.

Molecular Properties

Compound Name(2S)-N-methyl-4-oxo-N-phenyl-2-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide
PubChem CID158912038
Molecular FormulaC25H26F3N3O2S
Molecular Weight489.56 g/mol
Exact Mass489.17
IUPAC Name(2S)-N-methyl-4-oxo-N-phenyl-2-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide
SMILESCN(C(=O)[C@@H](CC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)Cc1cccs1)c1ccccc1
InChIInChI=1S/C25H26F3N3O2S/c1-30(18-8-3-2-4-9-18)24(33)17(15-20-10-7-13-34-20)14-19(32)16-31-22-12-6-5-11-21(22)23(29-31)25(26,27)28/h2-4,7-10,13,17H,5-6,11-12,14-16H2,1H3/t17-/m0/s1
InChIKeyNNPHOGPHZFWLMP-KRWDZBQOSA-N
XLogP5.32
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.56
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-N-methyl-4-oxo-N-phenyl-2-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-4-oxo-N-phenyl-2-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide?
The IUPAC name of (2S)-N-methyl-4-oxo-N-phenyl-2-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide (CID 158912038) is (2S)-N-methyl-4-oxo-N-phenyl-2-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide.
What is the SMILES notation for (2S)-N-methyl-4-oxo-N-phenyl-2-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide?
The canonical SMILES for (2S)-N-methyl-4-oxo-N-phenyl-2-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide is CN(C(=O)[C@@H](CC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)Cc1cccs1)c1ccccc1.
What is the InChIKey of (2S)-N-methyl-4-oxo-N-phenyl-2-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide?
The InChIKey is NNPHOGPHZFWLMP-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H26F3N3O2S/c1-30(18-8-3-2-4-9-18)24(33)17(15-20-10-7-13-34-20)14-19(32)16-31-22-12-6-5-11-21(22)23(29-31)25(26,27)28/h2-4,7-10,13,17H,5-6,11-12,14-16H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-N-methyl-4-oxo-N-phenyl-2-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide?
(2S)-N-methyl-4-oxo-N-phenyl-2-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide has a molecular weight of 489.56 g/mol, XLogP of 5.32, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-4-oxo-N-phenyl-2-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide is sourced from PubChem (CID 158912038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).