3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)propanamide

C17H20FNO2S — CID 73167963

IUPAC3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)propanamide
SMILESCOCCN(Cc1ccsc1)C(=O)CCc1ccccc1F
InChIInChI=1S/C17H20FNO2S/c1-21-10-9-19(12-14-8-11-22-13-14)17(20)7-6-15-4-2-3-5-16(15)18/h2-5,8,11,13H,6-7,9-10,12H2,1H3
InChIKeyAMWBPXPEMUPMOL-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.49
Rot. Bonds8

About 3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)propanamide

3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)propanamide (PubChem CID 73167963) has the molecular formula C17H20FNO2S and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)propanamide
PubChem CID73167963
Molecular FormulaC17H20FNO2S
Molecular Weight321.42 g/mol
Exact Mass321.12
IUPAC Name3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)propanamide
SMILESCOCCN(Cc1ccsc1)C(=O)CCc1ccccc1F
InChIInChI=1S/C17H20FNO2S/c1-21-10-9-19(12-14-8-11-22-13-14)17(20)7-6-15-4-2-3-5-16(15)18/h2-5,8,11,13H,6-7,9-10,12H2,1H3
InChIKeyAMWBPXPEMUPMOL-UHFFFAOYSA-N
XLogP3.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 67512015
N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
CID 71449606
N-methyl-3-(4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 2561079
1-Morpholin-4-yl-2-phenyl-3-(thiophen-3-ylmethylamino)propan-1-one
CID 72022523
N-Cyclopentyl-2,6-difluoro-N-[(thiophen-2-yl)methyl]benzamide
CID 3224911
N-[(2-fluorophenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide
CID 24685808
N-(4-fluorobenzyl)-N-methyl-3-phenyl-thiophene-2-carboxamide
CID 24819439
(3-methylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 24978700
N-[(3-fluorophenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 24980999
2-(4-Fluorophenyl)-N-[1-(morpholin-4-YL)-1-(thiophen-2-YL)propan-2-YL]acetamide
CID 6710476
1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(3-methyl-2-thienyl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24817119
5-(2-fluorophenyl)-3-hydroxy-1-(2-methoxyethyl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2918415

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)propanamide (CID 73167963) is 3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)propanamide is COCCN(Cc1ccsc1)C(=O)CCc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)propanamide?
The InChIKey is AMWBPXPEMUPMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2S/c1-21-10-9-19(12-14-8-11-22-13-14)17(20)7-6-15-4-2-3-5-16(15)18/h2-5,8,11,13H,6-7,9-10,12H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)propanamide?
3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)propanamide has a molecular weight of 321.42 g/mol, XLogP of 3.49, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)propanamide is sourced from PubChem (CID 73167963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).