3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide

C19H22FNO2S — CID 78810035

IUPAC3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCc1ccc(F)cc1)N(Cc1cccs1)CC1CCCO1
InChIInChI=1S/C19H22FNO2S/c20-16-8-5-15(6-9-16)7-10-19(22)21(13-17-3-1-11-23-17)14-18-4-2-12-24-18/h2,4-6,8-9,12,17H,1,3,7,10-11,13-14H2
InChIKeyOWCABISYFKKXJO-UHFFFAOYSA-N
MW347.45 g/mol
LogP4.03
Rot. Bonds7

About 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide

3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 78810035) has the molecular formula C19H22FNO2S and a molecular weight of 347.45 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID78810035
Molecular FormulaC19H22FNO2S
Molecular Weight347.45 g/mol
Exact Mass347.14
IUPAC Name3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCc1ccc(F)cc1)N(Cc1cccs1)CC1CCCO1
InChIInChI=1S/C19H22FNO2S/c20-16-8-5-15(6-9-16)7-10-19(22)21(13-17-3-1-11-23-17)14-18-4-2-12-24-18/h2,4-6,8-9,12,17H,1,3,7,10-11,13-14H2
InChIKeyOWCABISYFKKXJO-UHFFFAOYSA-N
XLogP4.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55773459
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 60717923
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 5049359
1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
4-bromo-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 3601941
2-chloro-4-fluoro-N-[3-oxo-3-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]propyl]benzamide
CID 55756885
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 5011647
N-(oxolan-2-ylmethyl)-3-[(2-phenylacetyl)amino]-N-(thiophen-2-ylmethyl)propanamide
CID 134012194
N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 4060393
3-(4-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)thiourea
CID 7988241
3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 134047491
3-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 55595482

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide (CID 78810035) is 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide is O=C(CCc1ccc(F)cc1)N(Cc1cccs1)CC1CCCO1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is OWCABISYFKKXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2S/c20-16-8-5-15(6-9-16)7-10-19(22)21(13-17-3-1-11-23-17)14-18-4-2-12-24-18/h2,4-6,8-9,12,17H,1,3,7,10-11,13-14H2.
What are the key properties of 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide?
3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 347.45 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 78810035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).