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

C24H20N2O2S — CID 90627858

IUPAC4-(3-methoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
SMILESCOc1cccc(-c2ccc(C(=O)NCc3cncc(-c4ccsc4)c3)cc2)c1
InChIInChI=1S/C24H20N2O2S/c1-28-23-4-2-3-20(12-23)18-5-7-19(8-6-18)24(27)26-14-17-11-22(15-25-13-17)21-9-10-29-16-21/h2-13,15-16H,14H2,1H3,(H,26,27)
InChIKeySJOAYVACEIDOKX-UHFFFAOYSA-N
MW400.50 g/mol
LogP5.42
Rot. Bonds6

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

4-(3-methoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide (PubChem CID 90627858) has the molecular formula C24H20N2O2S and a molecular weight of 400.50 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
PubChem CID90627858
Molecular FormulaC24H20N2O2S
Molecular Weight400.50 g/mol
Exact Mass400.12
IUPAC Name4-(3-methoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
SMILESCOc1cccc(-c2ccc(C(=O)NCc3cncc(-c4ccsc4)c3)cc2)c1
InChIInChI=1S/C24H20N2O2S/c1-28-23-4-2-3-20(12-23)18-5-7-19(8-6-18)24(27)26-14-17-11-22(15-25-13-17)21-9-10-29-16-21/h2-13,15-16H,14H2,1H3,(H,26,27)
InChIKeySJOAYVACEIDOKX-UHFFFAOYSA-N
XLogP5.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 90627855
3-fluoro-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 90627943
4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(thiophen-3-ylmethyl)benzamide
CID 42691501
4-[(3R)-3-methoxypyrrolidin-1-yl]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 99877599
3-(2,4-dimethoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide
CID 90627889
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-4-thiophen-3-ylbenzamide
CID 90623429
2-pyridin-3-yloxy-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide
CID 90627965
4-(3-methoxyphenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide
CID 136662461
3-methoxy-N-[2-[[4-(3-methoxyphenyl)benzoyl]amino]ethyl]benzamide
CID 134802561
N-benzyl-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53020816
(3S)-1-(4-methoxyphenyl)-5-oxo-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 99877540
4-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 59672655

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 4-(3-methoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide (CID 90627858) is 4-(3-methoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-(3-methoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-(3-methoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide is COc1cccc(-c2ccc(C(=O)NCc3cncc(-c4ccsc4)c3)cc2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is SJOAYVACEIDOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2S/c1-28-23-4-2-3-20(12-23)18-5-7-19(8-6-18)24(27)26-14-17-11-22(15-25-13-17)21-9-10-29-16-21/h2-13,15-16H,14H2,1H3,(H,26,27).
What are the key properties of 4-(3-methoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide?
4-(3-methoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 400.50 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 90627858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).