3-phenoxy-N-(1-thiophen-2-ylethyl)propanamide

C15H17NO2S — CID 110733991

IUPAC3-phenoxy-N-(1-thiophen-2-ylethyl)propanamide
SMILESCC(NC(=O)CCOc1ccccc1)c1cccs1
InChIInChI=1S/C15H17NO2S/c1-12(14-8-5-11-19-14)16-15(17)9-10-18-13-6-3-2-4-7-13/h2-8,11-12H,9-10H2,1H3,(H,16,17)
InChIKeyADNLUUHHTINJTO-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.39
Rot. Bonds6

About 3-phenoxy-N-(1-thiophen-2-ylethyl)propanamide

3-phenoxy-N-(1-thiophen-2-ylethyl)propanamide (PubChem CID 110733991) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 3-phenoxy-N-(1-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-phenoxy-N-(1-thiophen-2-ylethyl)propanamide
PubChem CID110733991
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name3-phenoxy-N-(1-thiophen-2-ylethyl)propanamide
SMILESCC(NC(=O)CCOc1ccccc1)c1cccs1
InChIInChI=1S/C15H17NO2S/c1-12(14-8-5-11-19-14)16-15(17)9-10-18-13-6-3-2-4-7-13/h2-8,11-12H,9-10H2,1H3,(H,16,17)
InChIKeyADNLUUHHTINJTO-UHFFFAOYSA-N
XLogP3.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-4-(1-thiophen-2-ylethylamino)butanoic acid
CID 43399724
N-[cyclopentyl(thiophen-2-yl)methyl]-3-phenoxypropanamide
CID 47031450
3-(2,4-dimethylphenoxy)-N-(1-thiophen-2-ylethyl)propanamide
CID 43059642
4-(2-ethoxyphenoxy)-N-(1-thiophen-2-ylethyl)butanamide
CID 112766186
5-chloro-N-(1-thiophen-2-ylethyl)pentanamide
CID 43347040
5-chloro-N-[(1R)-1-thiophen-2-ylethyl]pentanamide
CID 81408351
3-(methylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81408507
phenyl N-(1-thiophen-2-ylethyl)carbamate
CID 60629917
N-(1-bromopropan-2-yl)-3-phenoxypropanamide
CID 114310403
methyl (2R)-2-(3-phenoxypropanoylamino)propanoate
CID 113257886
N-(4-hydroxybutan-2-yl)-3-phenoxypropanamide
CID 81042132
N-[2-oxo-2-(1-phenylethylamino)ethyl]-3-phenoxypropanamide
CID 112992328

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-(1-thiophen-2-ylethyl)propanamide?
The IUPAC name of 3-phenoxy-N-(1-thiophen-2-ylethyl)propanamide (CID 110733991) is 3-phenoxy-N-(1-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 3-phenoxy-N-(1-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 3-phenoxy-N-(1-thiophen-2-ylethyl)propanamide is CC(NC(=O)CCOc1ccccc1)c1cccs1.
What is the InChIKey of 3-phenoxy-N-(1-thiophen-2-ylethyl)propanamide?
The InChIKey is ADNLUUHHTINJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-12(14-8-5-11-19-14)16-15(17)9-10-18-13-6-3-2-4-7-13/h2-8,11-12H,9-10H2,1H3,(H,16,17).
What are the key properties of 3-phenoxy-N-(1-thiophen-2-ylethyl)propanamide?
3-phenoxy-N-(1-thiophen-2-ylethyl)propanamide has a molecular weight of 275.37 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-(1-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 110733991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).