3-(3-fluoro-4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide

C20H19FN2OS — CID 90627902

IUPAC3-(3-fluoro-4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide
SMILESCc1ccc(CCC(=O)NCc2cncc(-c3ccsc3)c2)cc1F
InChIInChI=1S/C20H19FN2OS/c1-14-2-3-15(9-19(14)21)4-5-20(24)23-11-16-8-18(12-22-10-16)17-6-7-25-13-17/h2-3,6-10,12-13H,4-5,11H2,1H3,(H,23,24)
InChIKeyXUNTVIMIYGOBEZ-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.51
Rot. Bonds6

About 3-(3-fluoro-4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide

3-(3-fluoro-4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide (PubChem CID 90627902) has the molecular formula C20H19FN2OS and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-fluoro-4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide
PubChem CID90627902
Molecular FormulaC20H19FN2OS
Molecular Weight354.45 g/mol
Exact Mass354.12
IUPAC Name3-(3-fluoro-4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide
SMILESCc1ccc(CCC(=O)NCc2cncc(-c3ccsc3)c2)cc1F
InChIInChI=1S/C20H19FN2OS/c1-14-2-3-15(9-19(14)21)4-5-20(24)23-11-16-8-18(12-22-10-16)17-6-7-25-13-17/h2-3,6-10,12-13H,4-5,11H2,1H3,(H,23,24)
InChIKeyXUNTVIMIYGOBEZ-UHFFFAOYSA-N
XLogP4.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide
CID 90627889
3-(3,4-dimethylphenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide
CID 121165797
4-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 90627855
2-pyridin-3-yloxy-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide
CID 90627965
3-fluoro-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 90627943
N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 90628002
2-[(3-fluorophenyl)sulfonylamino]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide
CID 90627861
2-cyclopentylsulfanyl-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide
CID 90627949
3-(3-fluoro-4-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide
CID 121166183
N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-1H-indole-3-carboxamide
CID 90627962
(1S)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide
CID 99877543
N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
CID 90627839

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide?
The IUPAC name of 3-(3-fluoro-4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide (CID 90627902) is 3-(3-fluoro-4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-(3-fluoro-4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-(3-fluoro-4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide is Cc1ccc(CCC(=O)NCc2cncc(-c3ccsc3)c2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide?
The InChIKey is XUNTVIMIYGOBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2OS/c1-14-2-3-15(9-19(14)21)4-5-20(24)23-11-16-8-18(12-22-10-16)17-6-7-25-13-17/h2-3,6-10,12-13H,4-5,11H2,1H3,(H,23,24).
What are the key properties of 3-(3-fluoro-4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide?
3-(3-fluoro-4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide has a molecular weight of 354.45 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 90627902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).