N-[2-(3-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide

C16H19NO2S — CID 110295233

IUPACN-[2-(3-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
SMILESCOc1cccc(CCNC(=O)CCc2cccs2)c1
InChIInChI=1S/C16H19NO2S/c1-19-14-5-2-4-13(12-14)9-10-17-16(18)8-7-15-6-3-11-20-15/h2-6,11-12H,7-10H2,1H3,(H,17,18)
InChIKeyZRJBYILCBJOXDD-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.05
Rot. Bonds7

About N-[2-(3-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide

N-[2-(3-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide (PubChem CID 110295233) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
PubChem CID110295233
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
SMILESCOc1cccc(CCNC(=O)CCc2cccs2)c1
InChIInChI=1S/C16H19NO2S/c1-19-14-5-2-4-13(12-14)9-10-17-16(18)8-7-15-6-3-11-20-15/h2-6,11-12H,7-10H2,1H3,(H,17,18)
InChIKeyZRJBYILCBJOXDD-UHFFFAOYSA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 52570846
4-[2-(3-methoxyphenyl)ethylamino]-4-oxobutanoic acid;hydrochloride
CID 170649983
4-(furan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxobutanamide
CID 110389850
N-[2-(4-aminophenyl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 119549328
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 113266225
N-[2-(3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 56906594
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-methoxybenzoate
CID 8866793
3-(3,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 51230163
4-(2,2-dimethylhydrazinyl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxobutanamide
CID 166390750
4-[2-[3-[2-(3-methoxyphenoxy)ethoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 22685572

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide (CID 110295233) is N-[2-(3-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide is COc1cccc(CCNC(=O)CCc2cccs2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide?
The InChIKey is ZRJBYILCBJOXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-19-14-5-2-4-13(12-14)9-10-17-16(18)8-7-15-6-3-11-20-15/h2-6,11-12H,7-10H2,1H3,(H,17,18).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide?
N-[2-(3-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide has a molecular weight of 289.40 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110295233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).