N-[(3-methoxyphenyl)methyl]-N-(5-phenylthiophen-3-yl)propanamide

C21H21NO2S — CID 67298898

IUPACN-[(3-methoxyphenyl)methyl]-N-(5-phenylthiophen-3-yl)propanamide
SMILESCCC(=O)N(Cc1cccc(OC)c1)c1csc(-c2ccccc2)c1
InChIInChI=1S/C21H21NO2S/c1-3-21(23)22(14-16-8-7-11-19(12-16)24-2)18-13-20(25-15-18)17-9-5-4-6-10-17/h4-13,15H,3,14H2,1-2H3
InChIKeyJENBOBOKMKRNKX-UHFFFAOYSA-N
MW351.47 g/mol
LogP5.37
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-N-(5-phenylthiophen-3-yl)propanamide

N-[(3-methoxyphenyl)methyl]-N-(5-phenylthiophen-3-yl)propanamide (PubChem CID 67298898) has the molecular formula C21H21NO2S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-(5-phenylthiophen-3-yl)propanamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-(5-phenylthiophen-3-yl)propanamide
PubChem CID67298898
Molecular FormulaC21H21NO2S
Molecular Weight351.47 g/mol
Exact Mass351.13
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-(5-phenylthiophen-3-yl)propanamide
SMILESCCC(=O)N(Cc1cccc(OC)c1)c1csc(-c2ccccc2)c1
InChIInChI=1S/C21H21NO2S/c1-3-21(23)22(14-16-8-7-11-19(12-16)24-2)18-13-20(25-15-18)17-9-5-4-6-10-17/h4-13,15H,3,14H2,1-2H3
InChIKeyJENBOBOKMKRNKX-UHFFFAOYSA-N
XLogP5.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.47
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-(5-phenylthiophen-3-yl)propanamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-(5-phenylthiophen-3-yl)propanamide (CID 67298898) is N-[(3-methoxyphenyl)methyl]-N-(5-phenylthiophen-3-yl)propanamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-(5-phenylthiophen-3-yl)propanamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-(5-phenylthiophen-3-yl)propanamide is CCC(=O)N(Cc1cccc(OC)c1)c1csc(-c2ccccc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-(5-phenylthiophen-3-yl)propanamide?
The InChIKey is JENBOBOKMKRNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2S/c1-3-21(23)22(14-16-8-7-11-19(12-16)24-2)18-13-20(25-15-18)17-9-5-4-6-10-17/h4-13,15H,3,14H2,1-2H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-(5-phenylthiophen-3-yl)propanamide?
N-[(3-methoxyphenyl)methyl]-N-(5-phenylthiophen-3-yl)propanamide has a molecular weight of 351.47 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-(5-phenylthiophen-3-yl)propanamide is sourced from PubChem (CID 67298898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).