N-(5-iodo-2-pyridinyl)-2-(4-methylphenyl)sulfanylacetamide

C14H13IN2OS — CID 2160970

IUPACN-(5-iodo-2-pyridinyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2ccc(I)cn2)cc1
InChIInChI=1S/C14H13IN2OS/c1-10-2-5-12(6-3-10)19-9-14(18)17-13-7-4-11(15)8-16-13/h2-8H,9H2,1H3,(H,16,17,18)
InChIKeyNNOARSUQPXNYOL-UHFFFAOYSA-N
MW384.24 g/mol
LogP3.73
Rot. Bonds4

About N-(5-iodo-2-pyridinyl)-2-(4-methylphenyl)sulfanylacetamide

N-(5-iodo-2-pyridinyl)-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 2160970) has the molecular formula C14H13IN2OS and a molecular weight of 384.24 g/mol. Its IUPAC name is N-(5-iodo-2-pyridinyl)-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-iodo-2-pyridinyl)-2-(4-methylphenyl)sulfanylacetamide
PubChem CID2160970
Molecular FormulaC14H13IN2OS
Molecular Weight384.24 g/mol
Exact Mass383.98
IUPAC NameN-(5-iodo-2-pyridinyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2ccc(I)cn2)cc1
InChIInChI=1S/C14H13IN2OS/c1-10-2-5-12(6-3-10)19-9-14(18)17-13-7-4-11(15)8-16-13/h2-8H,9H2,1H3,(H,16,17,18)
InChIKeyNNOARSUQPXNYOL-UHFFFAOYSA-N
XLogP3.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.24
LogP ≤ 53.73
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 N-(5-iodo-2-pyridinyl)-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(5-iodo-2-pyridinyl)-2-(4-methylphenyl)sulfanylacetamide (CID 2160970) is N-(5-iodo-2-pyridinyl)-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(5-iodo-2-pyridinyl)-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(5-iodo-2-pyridinyl)-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)Nc2ccc(I)cn2)cc1.
What is the InChIKey of N-(5-iodo-2-pyridinyl)-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is NNOARSUQPXNYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2OS/c1-10-2-5-12(6-3-10)19-9-14(18)17-13-7-4-11(15)8-16-13/h2-8H,9H2,1H3,(H,16,17,18).
What are the key properties of N-(5-iodo-2-pyridinyl)-2-(4-methylphenyl)sulfanylacetamide?
N-(5-iodo-2-pyridinyl)-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 384.24 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodo-2-pyridinyl)-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 2160970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).