2-[(2,4-dichlorophenyl)methylsulfanyl]-2-phenylacetamide

C15H13Cl2NOS — CID 162676582

IUPAC2-[(2,4-dichlorophenyl)methylsulfanyl]-2-phenylacetamide
SMILESNC(=O)C(SCc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C15H13Cl2NOS/c16-12-7-6-11(13(17)8-12)9-20-14(15(18)19)10-4-2-1-3-5-10/h1-8,14H,9H2,(H2,18,19)
InChIKeyLCZMHAQUZVUUPH-UHFFFAOYSA-N
MW326.25 g/mol
LogP4.45
Rot. Bonds5

About 2-[(2,4-dichlorophenyl)methylsulfanyl]-2-phenylacetamide

2-[(2,4-dichlorophenyl)methylsulfanyl]-2-phenylacetamide (PubChem CID 162676582) has the molecular formula C15H13Cl2NOS and a molecular weight of 326.25 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methylsulfanyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methylsulfanyl]-2-phenylacetamide
PubChem CID162676582
Molecular FormulaC15H13Cl2NOS
Molecular Weight326.25 g/mol
Exact Mass325.01
IUPAC Name2-[(2,4-dichlorophenyl)methylsulfanyl]-2-phenylacetamide
SMILESNC(=O)C(SCc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C15H13Cl2NOS/c16-12-7-6-11(13(17)8-12)9-20-14(15(18)19)10-4-2-1-3-5-10/h1-8,14H,9H2,(H2,18,19)
InChIKeyLCZMHAQUZVUUPH-UHFFFAOYSA-N
XLogP4.45
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methylsulfanyl]-2-phenylacetamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)methylsulfanyl]-2-phenylacetamide (CID 162676582) is 2-[(2,4-dichlorophenyl)methylsulfanyl]-2-phenylacetamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methylsulfanyl]-2-phenylacetamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methylsulfanyl]-2-phenylacetamide is NC(=O)C(SCc1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methylsulfanyl]-2-phenylacetamide?
The InChIKey is LCZMHAQUZVUUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NOS/c16-12-7-6-11(13(17)8-12)9-20-14(15(18)19)10-4-2-1-3-5-10/h1-8,14H,9H2,(H2,18,19).
What are the key properties of 2-[(2,4-dichlorophenyl)methylsulfanyl]-2-phenylacetamide?
2-[(2,4-dichlorophenyl)methylsulfanyl]-2-phenylacetamide has a molecular weight of 326.25 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methylsulfanyl]-2-phenylacetamide is sourced from PubChem (CID 162676582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).