3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide

C21H27NO4S — CID 134047491

IUPAC3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCOc1ccc(OC)c(CCC(=O)N(Cc2cccs2)CC2CCCO2)c1
InChIInChI=1S/C21H27NO4S/c1-24-17-8-9-20(25-2)16(13-17)7-10-21(23)22(14-18-5-3-11-26-18)15-19-6-4-12-27-19/h4,6,8-9,12-13,18H,3,5,7,10-11,14-15H2,1-2H3
InChIKeyQVKDCILWVNDZGR-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.91
Rot. Bonds9

About 3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide

3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 134047491) has the molecular formula C21H27NO4S and a molecular weight of 389.52 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID134047491
Molecular FormulaC21H27NO4S
Molecular Weight389.52 g/mol
Exact Mass389.17
IUPAC Name3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCOc1ccc(OC)c(CCC(=O)N(Cc2cccs2)CC2CCCO2)c1
InChIInChI=1S/C21H27NO4S/c1-24-17-8-9-20(25-2)16(13-17)7-10-21(23)22(14-18-5-3-11-26-18)15-19-6-4-12-27-19/h4,6,8-9,12-13,18H,3,5,7,10-11,14-15H2,1-2H3
InChIKeyQVKDCILWVNDZGR-UHFFFAOYSA-N
XLogP3.91
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-3-(2,5-dimethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 9194332
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 60717923
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 55968507
3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 78810035
3-(3,5-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 55567666
4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55773459
3-cyclopentyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)propanamide
CID 5021493
3-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 55595482
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)octanamide
CID 5108583
2-(2,5-dimethoxyphenyl)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 78806360
N-(oxolan-2-ylmethyl)-3-[(2-phenylacetyl)amino]-N-(thiophen-2-ylmethyl)propanamide
CID 134012194
N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 3284816

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide (CID 134047491) is 3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide is COc1ccc(OC)c(CCC(=O)N(Cc2cccs2)CC2CCCO2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is QVKDCILWVNDZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4S/c1-24-17-8-9-20(25-2)16(13-17)7-10-21(23)22(14-18-5-3-11-26-18)15-19-6-4-12-27-19/h4,6,8-9,12-13,18H,3,5,7,10-11,14-15H2,1-2H3.
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide?
3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 389.52 g/mol, XLogP of 3.91, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 134047491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).