4-iodo-2-(5-methylthiophen-2-yl)-N-(2-pyridin-2-ylpropan-2-yl)benzamide

C20H19IN2OS — CID 166442652

IUPAC4-iodo-2-(5-methylthiophen-2-yl)-N-(2-pyridin-2-ylpropan-2-yl)benzamide
SMILESCc1ccc(-c2cc(I)ccc2C(=O)NC(C)(C)c2ccccn2)s1
InChIInChI=1S/C20H19IN2OS/c1-13-7-10-17(25-13)16-12-14(21)8-9-15(16)19(24)23-20(2,3)18-6-4-5-11-22-18/h4-12H,1-3H3,(H,23,24)
InChIKeyHVYREIZEAPKNKC-UHFFFAOYSA-N
MW462.36 g/mol
LogP5.39
Rot. Bonds4

About 4-iodo-2-(5-methylthiophen-2-yl)-N-(2-pyridin-2-ylpropan-2-yl)benzamide

4-iodo-2-(5-methylthiophen-2-yl)-N-(2-pyridin-2-ylpropan-2-yl)benzamide (PubChem CID 166442652) has the molecular formula C20H19IN2OS and a molecular weight of 462.36 g/mol. Its IUPAC name is 4-iodo-2-(5-methylthiophen-2-yl)-N-(2-pyridin-2-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-iodo-2-(5-methylthiophen-2-yl)-N-(2-pyridin-2-ylpropan-2-yl)benzamide
PubChem CID166442652
Molecular FormulaC20H19IN2OS
Molecular Weight462.36 g/mol
Exact Mass462.03
IUPAC Name4-iodo-2-(5-methylthiophen-2-yl)-N-(2-pyridin-2-ylpropan-2-yl)benzamide
SMILESCc1ccc(-c2cc(I)ccc2C(=O)NC(C)(C)c2ccccn2)s1
InChIInChI=1S/C20H19IN2OS/c1-13-7-10-17(25-13)16-12-14(21)8-9-15(16)19(24)23-20(2,3)18-6-4-5-11-22-18/h4-12H,1-3H3,(H,23,24)
InChIKeyHVYREIZEAPKNKC-UHFFFAOYSA-N
XLogP5.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.36
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-(5-methylthiophen-2-yl)-N-(2-pyridin-2-ylpropan-2-yl)benzamide?
The IUPAC name of 4-iodo-2-(5-methylthiophen-2-yl)-N-(2-pyridin-2-ylpropan-2-yl)benzamide (CID 166442652) is 4-iodo-2-(5-methylthiophen-2-yl)-N-(2-pyridin-2-ylpropan-2-yl)benzamide.
What is the SMILES notation for 4-iodo-2-(5-methylthiophen-2-yl)-N-(2-pyridin-2-ylpropan-2-yl)benzamide?
The canonical SMILES for 4-iodo-2-(5-methylthiophen-2-yl)-N-(2-pyridin-2-ylpropan-2-yl)benzamide is Cc1ccc(-c2cc(I)ccc2C(=O)NC(C)(C)c2ccccn2)s1.
What is the InChIKey of 4-iodo-2-(5-methylthiophen-2-yl)-N-(2-pyridin-2-ylpropan-2-yl)benzamide?
The InChIKey is HVYREIZEAPKNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19IN2OS/c1-13-7-10-17(25-13)16-12-14(21)8-9-15(16)19(24)23-20(2,3)18-6-4-5-11-22-18/h4-12H,1-3H3,(H,23,24).
What are the key properties of 4-iodo-2-(5-methylthiophen-2-yl)-N-(2-pyridin-2-ylpropan-2-yl)benzamide?
4-iodo-2-(5-methylthiophen-2-yl)-N-(2-pyridin-2-ylpropan-2-yl)benzamide has a molecular weight of 462.36 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-(5-methylthiophen-2-yl)-N-(2-pyridin-2-ylpropan-2-yl)benzamide is sourced from PubChem (CID 166442652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).