3-(3,5-dimethoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide

C19H25NO3S — CID 46628604

IUPAC3-(3,5-dimethoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide
SMILESCOc1cc(CCC(=O)NC(c2cccs2)C(C)C)cc(OC)c1
InChIInChI=1S/C19H25NO3S/c1-13(2)19(17-6-5-9-24-17)20-18(21)8-7-14-10-15(22-3)12-16(11-14)23-4/h5-6,9-13,19H,7-8H2,1-4H3,(H,20,21)
InChIKeyDQLJDXYXKQXIHB-UHFFFAOYSA-N
MW347.48 g/mol
LogP4.21
Rot. Bonds8

About 3-(3,5-dimethoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide

3-(3,5-dimethoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide (PubChem CID 46628604) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide
PubChem CID46628604
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Name3-(3,5-dimethoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide
SMILESCOc1cc(CCC(=O)NC(c2cccs2)C(C)C)cc(OC)c1
InChIInChI=1S/C19H25NO3S/c1-13(2)19(17-6-5-9-24-17)20-18(21)8-7-14-10-15(22-3)12-16(11-14)23-4/h5-6,9-13,19H,7-8H2,1-4H3,(H,20,21)
InChIKeyDQLJDXYXKQXIHB-UHFFFAOYSA-N
XLogP4.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopentanamide
CID 55914870
3-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-methyl-3-phenylpropanoic acid
CID 119218913
3-(3,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 51230163
N-[(1R)-1-thiophen-2-ylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 33466694
3-(1,3-benzodioxol-5-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide
CID 46421676
3-(4-methoxyphenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide
CID 8854024
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 63681207
2-(4-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 43709161
2-[(2-methylpropan-2-yl)oxy]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 112604514
(2R)-2-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
CID 119367695
2-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
CID 119113378
2-(3-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 62499193

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide (CID 46628604) is 3-(3,5-dimethoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide is COc1cc(CCC(=O)NC(c2cccs2)C(C)C)cc(OC)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide?
The InChIKey is DQLJDXYXKQXIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-13(2)19(17-6-5-9-24-17)20-18(21)8-7-14-10-15(22-3)12-16(11-14)23-4/h5-6,9-13,19H,7-8H2,1-4H3,(H,20,21).
What are the key properties of 3-(3,5-dimethoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide?
3-(3,5-dimethoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide has a molecular weight of 347.48 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide is sourced from PubChem (CID 46628604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).