N-benzyl-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide

C21H21NO2S — CID 110296909

IUPACN-benzyl-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide
SMILESCOc1ccc(C(Cc2cccs2)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C21H21NO2S/c1-24-18-11-9-17(10-12-18)20(14-19-8-5-13-25-19)21(23)22-15-16-6-3-2-4-7-16/h2-13,20H,14-15H2,1H3,(H,22,23)
InChIKeyWQZLHXPJSTUQTD-UHFFFAOYSA-N
MW351.47 g/mol
LogP4.40
Rot. Bonds7

About N-benzyl-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide

N-benzyl-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide (PubChem CID 110296909) has the molecular formula C21H21NO2S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-benzyl-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-benzyl-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide
PubChem CID110296909
Molecular FormulaC21H21NO2S
Molecular Weight351.47 g/mol
Exact Mass351.13
IUPAC NameN-benzyl-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide
SMILESCOc1ccc(C(Cc2cccs2)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C21H21NO2S/c1-24-18-11-9-17(10-12-18)20(14-19-8-5-13-25-19)21(23)22-15-16-6-3-2-4-7-16/h2-13,20H,14-15H2,1H3,(H,22,23)
InChIKeyWQZLHXPJSTUQTD-UHFFFAOYSA-N
XLogP4.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 110296913
N-(4-methoxybutyl)-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 110416393
N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 110296925
(2R)-N-benzyl-2-(4-fluorophenyl)-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1434456
N-benzyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3201947
N-benzyl-2-(4-methoxyphenyl)propanamide
CID 102432443
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1450044
(2R)-N-benzyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 1434318
N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3210889
1-(4-methoxyphenyl)-2-thiophen-2-ylethanol
CID 62501005
3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)propanamide
CID 110296570
N-[(4-methoxyphenyl)methyl]-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 3210903

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-benzyl-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide (CID 110296909) is N-benzyl-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-benzyl-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-benzyl-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide is COc1ccc(C(Cc2cccs2)C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide?
The InChIKey is WQZLHXPJSTUQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2S/c1-24-18-11-9-17(10-12-18)20(14-19-8-5-13-25-19)21(23)22-15-16-6-3-2-4-7-16/h2-13,20H,14-15H2,1H3,(H,22,23).
What are the key properties of N-benzyl-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide?
N-benzyl-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide has a molecular weight of 351.47 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110296909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).