2-[(2-chlorophenyl)methylsulfanyl]-N-[(3,4-dichlorophenyl)methyl]acetamide

C16H14Cl3NOS — CID 3567689

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-N-[(3,4-dichlorophenyl)methyl]acetamide
SMILESO=C(CSCc1ccccc1Cl)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl3NOS/c17-13-4-2-1-3-12(13)9-22-10-16(21)20-8-11-5-6-14(18)15(19)7-11/h1-7H,8-10H2,(H,20,21)
InChIKeyZDPPCIHSAZTCKH-UHFFFAOYSA-N
MW374.72 g/mol
LogP5.20
Rot. Bonds6

About 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3,4-dichlorophenyl)methyl]acetamide

2-[(2-chlorophenyl)methylsulfanyl]-N-[(3,4-dichlorophenyl)methyl]acetamide (PubChem CID 3567689) has the molecular formula C16H14Cl3NOS and a molecular weight of 374.72 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3,4-dichlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-N-[(3,4-dichlorophenyl)methyl]acetamide
PubChem CID3567689
Molecular FormulaC16H14Cl3NOS
Molecular Weight374.72 g/mol
Exact Mass372.99
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-N-[(3,4-dichlorophenyl)methyl]acetamide
SMILESO=C(CSCc1ccccc1Cl)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl3NOS/c17-13-4-2-1-3-12(13)9-22-10-16(21)20-8-11-5-6-14(18)15(19)7-11/h1-7H,8-10H2,(H,20,21)
InChIKeyZDPPCIHSAZTCKH-UHFFFAOYSA-N
XLogP5.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.72
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3,4-dichlorophenyl)methyl]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3,4-dichlorophenyl)methyl]acetamide (CID 3567689) is 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3,4-dichlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3,4-dichlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3,4-dichlorophenyl)methyl]acetamide is O=C(CSCc1ccccc1Cl)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3,4-dichlorophenyl)methyl]acetamide?
The InChIKey is ZDPPCIHSAZTCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3NOS/c17-13-4-2-1-3-12(13)9-22-10-16(21)20-8-11-5-6-14(18)15(19)7-11/h1-7H,8-10H2,(H,20,21).
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3,4-dichlorophenyl)methyl]acetamide?
2-[(2-chlorophenyl)methylsulfanyl]-N-[(3,4-dichlorophenyl)methyl]acetamide has a molecular weight of 374.72 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3,4-dichlorophenyl)methyl]acetamide is sourced from PubChem (CID 3567689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).