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

C20H20N2OS2 — CID 91625780

IUPAC3-(4-methylsulfanylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide
SMILESCSc1ccc(CCC(=O)NCc2cccnc2-c2cccs2)cc1
InChIInChI=1S/C20H20N2OS2/c1-24-17-9-6-15(7-10-17)8-11-19(23)22-14-16-4-2-12-21-20(16)18-5-3-13-25-18/h2-7,9-10,12-13H,8,11,14H2,1H3,(H,22,23)
InChIKeyOZXQALQTBPBIHJ-UHFFFAOYSA-N
MW368.53 g/mol
LogP4.78
Rot. Bonds7

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

3-(4-methylsulfanylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide (PubChem CID 91625780) has the molecular formula C20H20N2OS2 and a molecular weight of 368.53 g/mol. Its IUPAC name is 3-(4-methylsulfanylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-methylsulfanylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide
PubChem CID91625780
Molecular FormulaC20H20N2OS2
Molecular Weight368.53 g/mol
Exact Mass368.10
IUPAC Name3-(4-methylsulfanylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide
SMILESCSc1ccc(CCC(=O)NCc2cccnc2-c2cccs2)cc1
InChIInChI=1S/C20H20N2OS2/c1-24-17-9-6-15(7-10-17)8-11-19(23)22-14-16-4-2-12-21-20(16)18-5-3-13-25-18/h2-7,9-10,12-13H,8,11,14H2,1H3,(H,22,23)
InChIKeyOZXQALQTBPBIHJ-UHFFFAOYSA-N
XLogP4.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-fluoro-4-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide
CID 121166183
3-(2-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide
CID 121166173
3-(4-cyanophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide
CID 131704068
5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 121166239
4-acetamido-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166193
N-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 91816031
3,5-ditert-butyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166153
3-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166266
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(4-fluorophenyl)propanamide
CID 37487522
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-(4-methylsulfanylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide?
The IUPAC name of 3-(4-methylsulfanylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide (CID 91625780) is 3-(4-methylsulfanylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-(4-methylsulfanylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-(4-methylsulfanylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide is CSc1ccc(CCC(=O)NCc2cccnc2-c2cccs2)cc1.
What is the InChIKey of 3-(4-methylsulfanylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide?
The InChIKey is OZXQALQTBPBIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS2/c1-24-17-9-6-15(7-10-17)8-11-19(23)22-14-16-4-2-12-21-20(16)18-5-3-13-25-18/h2-7,9-10,12-13H,8,11,14H2,1H3,(H,22,23).
What are the key properties of 3-(4-methylsulfanylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide?
3-(4-methylsulfanylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide has a molecular weight of 368.53 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfanylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 91625780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).