N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-thiophen-2-ylacetamide

C17H18FNO2S — CID 94633542

IUPACN-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1
InChIInChI=1S/C17H18FNO2S/c18-13-7-5-12(6-8-13)17(15-4-1-9-21-15)19-16(20)11-14-3-2-10-22-14/h2-3,5-8,10,15,17H,1,4,9,11H2,(H,19,20)/t15-,17+/m0/s1
InChIKeyOTTNGFQTYORLSR-DOTOQJQBSA-N
MW319.40 g/mol
LogP3.47
Rot. Bonds5

About N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-thiophen-2-ylacetamide

N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-thiophen-2-ylacetamide (PubChem CID 94633542) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-thiophen-2-ylacetamide
PubChem CID94633542
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC NameN-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1
InChIInChI=1S/C17H18FNO2S/c18-13-7-5-12(6-8-13)17(15-4-1-9-21-15)19-16(20)11-14-3-2-10-22-14/h2-3,5-8,10,15,17H,1,4,9,11H2,(H,19,20)/t15-,17+/m0/s1
InChIKeyOTTNGFQTYORLSR-DOTOQJQBSA-N
XLogP3.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethyl-1,3-thiazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]acetamide
CID 94639876
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 60547934
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]acetamide
CID 136876879
1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea
CID 94666558
1-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 94666979
N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide
CID 94633633
2-(3,5-dimethylpyrazol-1-yl)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]acetamide
CID 94633627
N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 94633539
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 94633704
1-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylurea
CID 94667001
1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-(1-methylpiperidin-4-yl)urea
CID 75416372
1-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1-methylpiperidin-4-yl)urea
CID 94666700

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-thiophen-2-ylacetamide (CID 94633542) is N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1.
What is the InChIKey of N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-thiophen-2-ylacetamide?
The InChIKey is OTTNGFQTYORLSR-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H18FNO2S/c18-13-7-5-12(6-8-13)17(15-4-1-9-21-15)19-16(20)11-14-3-2-10-22-14/h2-3,5-8,10,15,17H,1,4,9,11H2,(H,19,20)/t15-,17+/m0/s1.
What are the key properties of N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-thiophen-2-ylacetamide?
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-thiophen-2-ylacetamide has a molecular weight of 319.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 94633542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).