3-(3-fluoro-4-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide

C20H19FN2OS — CID 121166183

IUPAC3-(3-fluoro-4-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide
SMILESCc1ccc(CCC(=O)NCc2cccnc2-c2cccs2)cc1F
InChIInChI=1S/C20H19FN2OS/c1-14-6-7-15(12-17(14)21)8-9-19(24)23-13-16-4-2-10-22-20(16)18-5-3-11-25-18/h2-7,10-12H,8-9,13H2,1H3,(H,23,24)
InChIKeyAJTVTTAOVWIJNZ-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.51
Rot. Bonds6

About 3-(3-fluoro-4-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide

3-(3-fluoro-4-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide (PubChem CID 121166183) has the molecular formula C20H19FN2OS and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-fluoro-4-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide
PubChem CID121166183
Molecular FormulaC20H19FN2OS
Molecular Weight354.45 g/mol
Exact Mass354.12
IUPAC Name3-(3-fluoro-4-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide
SMILESCc1ccc(CCC(=O)NCc2cccnc2-c2cccs2)cc1F
InChIInChI=1S/C20H19FN2OS/c1-14-6-7-15(12-17(14)21)8-9-19(24)23-13-16-4-2-10-22-20(16)18-5-3-11-25-18/h2-7,10-12H,8-9,13H2,1H3,(H,23,24)
InChIKeyAJTVTTAOVWIJNZ-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-(4-methylsulfanylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide
CID 91625780
3-(2-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide
CID 121166173
N-[(3-fluoro-4-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 34314674
3-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166266
5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 121166239
3,5-ditert-butyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166153
4-propyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]thiadiazole-5-carboxamide
CID 121166113
3-(3-methylthiophen-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]propanamide
CID 121177697
3,4-dichloro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166236
4-acetamido-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166193
1-[(2-thiophen-2-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 91625850
3,4-dimethoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166121

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide?
The IUPAC name of 3-(3-fluoro-4-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide (CID 121166183) is 3-(3-fluoro-4-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-(3-fluoro-4-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-(3-fluoro-4-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide is Cc1ccc(CCC(=O)NCc2cccnc2-c2cccs2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide?
The InChIKey is AJTVTTAOVWIJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2OS/c1-14-6-7-15(12-17(14)21)8-9-19(24)23-13-16-4-2-10-22-20(16)18-5-3-11-25-18/h2-7,10-12H,8-9,13H2,1H3,(H,23,24).
What are the key properties of 3-(3-fluoro-4-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide?
3-(3-fluoro-4-methylphenyl)-N-[(2-thiophen-2-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-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 121166183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).