2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide

C15H14ClN3O2S — CID 2100279

IUPAC2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C15H14ClN3O2S/c1-10(20)18-12-3-5-13(6-4-12)22-9-15(21)19-14-7-2-11(16)8-17-14/h2-8H,9H2,1H3,(H,18,20)(H,17,19,21)
InChIKeyVHUHLMGJIBNDHP-UHFFFAOYSA-N
MW335.82 g/mol
LogP3.42
Rot. Bonds5

About 2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide

2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide (PubChem CID 2100279) has the molecular formula C15H14ClN3O2S and a molecular weight of 335.82 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide
PubChem CID2100279
Molecular FormulaC15H14ClN3O2S
Molecular Weight335.82 g/mol
Exact Mass335.05
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C15H14ClN3O2S/c1-10(20)18-12-3-5-13(6-4-12)22-9-15(21)19-14-7-2-11(16)8-17-14/h2-8H,9H2,1H3,(H,18,20)(H,17,19,21)
InChIKeyVHUHLMGJIBNDHP-UHFFFAOYSA-N
XLogP3.42
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide (CID 2100279) is 2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide is CC(=O)Nc1ccc(SCC(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide?
The InChIKey is VHUHLMGJIBNDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2S/c1-10(20)18-12-3-5-13(6-4-12)22-9-15(21)19-14-7-2-11(16)8-17-14/h2-8H,9H2,1H3,(H,18,20)(H,17,19,21).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide?
2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide has a molecular weight of 335.82 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide is sourced from PubChem (CID 2100279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).