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

C20H20N2OS — CID 121166173

IUPAC3-(2-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide
SMILESCc1ccccc1CCC(=O)NCc1cccnc1-c1cccs1
InChIInChI=1S/C20H20N2OS/c1-15-6-2-3-7-16(15)10-11-19(23)22-14-17-8-4-12-21-20(17)18-9-5-13-24-18/h2-9,12-13H,10-11,14H2,1H3,(H,22,23)
InChIKeyMYQYGBOTCOFEST-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.37
Rot. Bonds6

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

3-(2-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide (PubChem CID 121166173) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is 3-(2-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide
PubChem CID121166173
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC Name3-(2-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide
SMILESCc1ccccc1CCC(=O)NCc1cccnc1-c1cccs1
InChIInChI=1S/C20H20N2OS/c1-15-6-2-3-7-16(15)10-11-19(23)22-14-17-8-4-12-21-20(17)18-9-5-13-24-18/h2-9,12-13H,10-11,14H2,1H3,(H,22,23)
InChIKeyMYQYGBOTCOFEST-UHFFFAOYSA-N
XLogP4.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluoro-4-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide
CID 121166183
3-(4-methylsulfanylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide
CID 91625780
5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 121166239
3-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166266
3-(3-methylthiophen-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]propanamide
CID 121177697
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
5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-1,2-oxazole-4-carboxamide
CID 91625820
3,5-ditert-butyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166153
1-cyclopentyl-3-[(2-thiophen-2-yl-3-pyridinyl)methyl]urea
CID 121166342
4-propyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]thiadiazole-5-carboxamide
CID 121166113
3,4-dichloro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166236

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide?
The IUPAC name of 3-(2-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide (CID 121166173) is 3-(2-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-(2-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-(2-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide is Cc1ccccc1CCC(=O)NCc1cccnc1-c1cccs1.
What is the InChIKey of 3-(2-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide?
The InChIKey is MYQYGBOTCOFEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-15-6-2-3-7-16(15)10-11-19(23)22-14-17-8-4-12-21-20(17)18-9-5-13-24-18/h2-9,12-13H,10-11,14H2,1H3,(H,22,23).
What are the key properties of 3-(2-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide?
3-(2-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide has a molecular weight of 336.46 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 121166173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).