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

C24H20N2OS — CID 90627855

IUPAC4-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
SMILESCc1ccc(-c2ccc(C(=O)NCc3cncc(-c4ccsc4)c3)cc2)cc1
InChIInChI=1S/C24H20N2OS/c1-17-2-4-19(5-3-17)20-6-8-21(9-7-20)24(27)26-14-18-12-23(15-25-13-18)22-10-11-28-16-22/h2-13,15-16H,14H2,1H3,(H,26,27)
InChIKeyZWFCNLKTCJRFLS-UHFFFAOYSA-N
MW384.50 g/mol
LogP5.72
Rot. Bonds5

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

4-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide (PubChem CID 90627855) has the molecular formula C24H20N2OS and a molecular weight of 384.50 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
PubChem CID90627855
Molecular FormulaC24H20N2OS
Molecular Weight384.50 g/mol
Exact Mass384.13
IUPAC Name4-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
SMILESCc1ccc(-c2ccc(C(=O)NCc3cncc(-c4ccsc4)c3)cc2)cc1
InChIInChI=1S/C24H20N2OS/c1-17-2-4-19(5-3-17)20-6-8-21(9-7-20)24(27)26-14-18-12-23(15-25-13-18)22-10-11-28-16-22/h2-13,15-16H,14H2,1H3,(H,26,27)
InChIKeyZWFCNLKTCJRFLS-UHFFFAOYSA-N
XLogP5.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-methoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 90627858
3-fluoro-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 90627943
4-[(3R)-3-methoxypyrrolidin-1-yl]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 99877599
5-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 58833166
N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-1H-indole-3-carboxamide
CID 90627962
N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
CID 90627839
5-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 136514307
(E)-2-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]ethenesulfonamide
CID 90628092
3-(3-fluoro-4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide
CID 90627902
1-(1-adamantyl)-3-[(5-thiophen-3-yl-3-pyridinyl)methyl]urea
CID 90628030
N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 90628002
2,4,6-trimethyl-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 90628068

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 4-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide (CID 90627855) is 4-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide is Cc1ccc(-c2ccc(C(=O)NCc3cncc(-c4ccsc4)c3)cc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is ZWFCNLKTCJRFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2OS/c1-17-2-4-19(5-3-17)20-6-8-21(9-7-20)24(27)26-14-18-12-23(15-25-13-18)22-10-11-28-16-22/h2-13,15-16H,14H2,1H3,(H,26,27).
What are the key properties of 4-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide?
4-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 384.50 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 90627855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).