2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide

C15H12Cl3NOS — CID 60594383

IUPAC2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
SMILESCc1cccc(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C15H12Cl3NOS/c1-9-3-2-4-11(5-9)21-8-14(20)19-15-12(17)6-10(16)7-13(15)18/h2-7H,8H2,1H3,(H,19,20)
InChIKeyZNHGEXOICRQRDZ-UHFFFAOYSA-N
MW360.69 g/mol
LogP5.69
Rot. Bonds4

About 2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide

2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide (PubChem CID 60594383) has the molecular formula C15H12Cl3NOS and a molecular weight of 360.69 g/mol. Its IUPAC name is 2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
PubChem CID60594383
Molecular FormulaC15H12Cl3NOS
Molecular Weight360.69 g/mol
Exact Mass358.97
IUPAC Name2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
SMILESCc1cccc(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C15H12Cl3NOS/c1-9-3-2-4-11(5-9)21-8-14(20)19-15-12(17)6-10(16)7-13(15)18/h2-7H,8H2,1H3,(H,19,20)
InChIKeyZNHGEXOICRQRDZ-UHFFFAOYSA-N
XLogP5.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.69
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-4,6-dichlorophenyl)-2-(3-bromophenyl)sulfanylacetamide
CID 62803542
N-(2,6-dichlorophenyl)-2-phenylsulfanylacetamide
CID 963352
2-(2-hydroxyphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
CID 62000709
N-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide
CID 38016758
N-(3-methylphenyl)-2-phenylsulfanylacetamide
CID 532042
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methylphenyl)sulfanylacetamide
CID 52772463
N-(4-amino-2-methylphenyl)-2-(3-methylphenyl)sulfanylacetamide
CID 61244892
2-(4-chlorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 735121
2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide
CID 2197381
N-[3-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 18906768
N-(2,6-dichlorophenyl)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19729998
N,N-dimethyl-3-[[2-(3-methylphenyl)sulfanylacetyl]amino]benzamide
CID 60594436

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide?
The IUPAC name of 2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide (CID 60594383) is 2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide.
What is the SMILES notation for 2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide?
The canonical SMILES for 2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide is Cc1cccc(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1.
What is the InChIKey of 2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide?
The InChIKey is ZNHGEXOICRQRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3NOS/c1-9-3-2-4-11(5-9)21-8-14(20)19-15-12(17)6-10(16)7-13(15)18/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide?
2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide has a molecular weight of 360.69 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide is sourced from PubChem (CID 60594383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).