N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide

C20H25FN2O2S — CID 26650549

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
SMILESC[C@@H](NC(=O)CN(Cc1cccs1)C[C@@H]1CCCO1)c1ccc(F)cc1
InChIInChI=1S/C20H25FN2O2S/c1-15(16-6-8-17(21)9-7-16)22-20(24)14-23(12-18-4-2-10-25-18)13-19-5-3-11-26-19/h3,5-9,11,15,18H,2,4,10,12-14H2,1H3,(H,22,24)/t15-,18+/m1/s1
InChIKeyUMIQUGUBAKCTMD-QAPCUYQASA-N
MW376.50 g/mol
LogP3.75
Rot. Bonds8

About N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide

N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 26650549) has the molecular formula C20H25FN2O2S and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
PubChem CID26650549
Molecular FormulaC20H25FN2O2S
Molecular Weight376.50 g/mol
Exact Mass376.16
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
SMILESC[C@@H](NC(=O)CN(Cc1cccs1)C[C@@H]1CCCO1)c1ccc(F)cc1
InChIInChI=1S/C20H25FN2O2S/c1-15(16-6-8-17(21)9-7-16)22-20(24)14-23(12-18-4-2-10-25-18)13-19-5-3-11-26-19/h3,5-9,11,15,18H,2,4,10,12-14H2,1H3,(H,22,24)/t15-,18+/m1/s1
InChIKeyUMIQUGUBAKCTMD-QAPCUYQASA-N
XLogP3.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide (CID 26650549) is N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide is C[C@@H](NC(=O)CN(Cc1cccs1)C[C@@H]1CCCO1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is UMIQUGUBAKCTMD-QAPCUYQASA-N. The full InChI is InChI=1S/C20H25FN2O2S/c1-15(16-6-8-17(21)9-7-16)22-20(24)14-23(12-18-4-2-10-25-18)13-19-5-3-11-26-19/h3,5-9,11,15,18H,2,4,10,12-14H2,1H3,(H,22,24)/t15-,18+/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 376.50 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 26650549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).