(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-piperidin-1-ylethylamino)-2-thiophen-3-ylacetamide

C22H25F6N3OS — CID 10323427

IUPAC(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-piperidin-1-ylethylamino)-2-thiophen-3-ylacetamide
SMILESO=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccsc1
InChIInChI=1S/C22H25F6N3OS/c23-21(24,25)17-10-15(11-18(12-17)22(26,27)28)13-30-20(32)19(16-4-9-33-14-16)29-5-8-31-6-2-1-3-7-31/h4,9-12,14,19,29H,1-3,5-8,13H2,(H,30,32)/t19-/m0/s1
InChIKeyNLWNSKCTNYPJQF-IBGZPJMESA-N
MW493.52 g/mol
LogP5.22
Rot. Bonds8

About (2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-piperidin-1-ylethylamino)-2-thiophen-3-ylacetamide

(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-piperidin-1-ylethylamino)-2-thiophen-3-ylacetamide (PubChem CID 10323427) has the molecular formula C22H25F6N3OS and a molecular weight of 493.52 g/mol. Its IUPAC name is (2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-piperidin-1-ylethylamino)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound Name(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-piperidin-1-ylethylamino)-2-thiophen-3-ylacetamide
PubChem CID10323427
Molecular FormulaC22H25F6N3OS
Molecular Weight493.52 g/mol
Exact Mass493.16
IUPAC Name(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-piperidin-1-ylethylamino)-2-thiophen-3-ylacetamide
SMILESO=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccsc1
InChIInChI=1S/C22H25F6N3OS/c23-21(24,25)17-10-15(11-18(12-17)22(26,27)28)13-30-20(32)19(16-4-9-33-14-16)29-5-8-31-6-2-1-3-7-31/h4,9-12,14,19,29H,1-3,5-8,13H2,(H,30,32)/t19-/m0/s1
InChIKeyNLWNSKCTNYPJQF-IBGZPJMESA-N
XLogP5.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.52
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-piperidin-1-ylethylamino)-2-thiophen-3-ylacetamide 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-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-piperidin-1-ylethylamino)-2-thiophen-3-ylacetamide?
The IUPAC name of (2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-piperidin-1-ylethylamino)-2-thiophen-3-ylacetamide (CID 10323427) is (2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-piperidin-1-ylethylamino)-2-thiophen-3-ylacetamide.
What is the SMILES notation for (2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-piperidin-1-ylethylamino)-2-thiophen-3-ylacetamide?
The canonical SMILES for (2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-piperidin-1-ylethylamino)-2-thiophen-3-ylacetamide is O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccsc1.
What is the InChIKey of (2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-piperidin-1-ylethylamino)-2-thiophen-3-ylacetamide?
The InChIKey is NLWNSKCTNYPJQF-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25F6N3OS/c23-21(24,25)17-10-15(11-18(12-17)22(26,27)28)13-30-20(32)19(16-4-9-33-14-16)29-5-8-31-6-2-1-3-7-31/h4,9-12,14,19,29H,1-3,5-8,13H2,(H,30,32)/t19-/m0/s1.
What are the key properties of (2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-piperidin-1-ylethylamino)-2-thiophen-3-ylacetamide?
(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-piperidin-1-ylethylamino)-2-thiophen-3-ylacetamide has a molecular weight of 493.52 g/mol, XLogP of 5.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-piperidin-1-ylethylamino)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 10323427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).