3-(2,4-dimethoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide

C21H22N2O3S — CID 90627889

IUPAC3-(2,4-dimethoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2cncc(-c3ccsc3)c2)c(OC)c1
InChIInChI=1S/C21H22N2O3S/c1-25-19-5-3-16(20(10-19)26-2)4-6-21(24)23-12-15-9-18(13-22-11-15)17-7-8-27-14-17/h3,5,7-11,13-14H,4,6,12H2,1-2H3,(H,23,24)
InChIKeyPBPUEIPBMFWYQR-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.08
Rot. Bonds8

About 3-(2,4-dimethoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide

3-(2,4-dimethoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide (PubChem CID 90627889) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide
PubChem CID90627889
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name3-(2,4-dimethoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2cncc(-c3ccsc3)c2)c(OC)c1
InChIInChI=1S/C21H22N2O3S/c1-25-19-5-3-16(20(10-19)26-2)4-6-21(24)23-12-15-9-18(13-22-11-15)17-7-8-27-14-17/h3,5,7-11,13-14H,4,6,12H2,1-2H3,(H,23,24)
InChIKeyPBPUEIPBMFWYQR-UHFFFAOYSA-N
XLogP4.08
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-fluoro-4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide
CID 90627902
4-(3-methoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 90627858
2-pyridin-3-yloxy-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide
CID 90627965
(3S)-1-(4-methoxyphenyl)-5-oxo-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 99877540
N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 90628002
4-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 90627855
2-cyclopentylsulfanyl-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide
CID 90627949
N-acetyl-3-(2,4-dimethoxyphenyl)propanamide
CID 171779335
N-[(5-methoxy-3-pyridinyl)methyl]-3-pyridin-4-ylpropanamide
CID 126829062
2-(2-methoxyphenyl)-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]acetamide
CID 131702715
2-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 9428047
2-(2,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9427593

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide (CID 90627889) is 3-(2,4-dimethoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide is COc1ccc(CCC(=O)NCc2cncc(-c3ccsc3)c2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide?
The InChIKey is PBPUEIPBMFWYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-25-19-5-3-16(20(10-19)26-2)4-6-21(24)23-12-15-9-18(13-22-11-15)17-7-8-27-14-17/h3,5,7-11,13-14H,4,6,12H2,1-2H3,(H,23,24).
What are the key properties of 3-(2,4-dimethoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide?
3-(2,4-dimethoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide has a molecular weight of 382.49 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 90627889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).