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

C16H15Cl2NOS — CID 26589848

IUPACN-(2,4-dichlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCc1cccc(CSCC(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H15Cl2NOS/c1-11-3-2-4-12(7-11)9-21-10-16(20)19-15-6-5-13(17)8-14(15)18/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyXGVFIAWFXHLLFR-UHFFFAOYSA-N
MW340.28 g/mol
LogP5.17
Rot. Bonds5

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

N-(2,4-dichlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide (PubChem CID 26589848) has the molecular formula C16H15Cl2NOS and a molecular weight of 340.28 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
PubChem CID26589848
Molecular FormulaC16H15Cl2NOS
Molecular Weight340.28 g/mol
Exact Mass339.03
IUPAC NameN-(2,4-dichlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCc1cccc(CSCC(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H15Cl2NOS/c1-11-3-2-4-12(7-11)9-21-10-16(20)19-15-6-5-13(17)8-14(15)18/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyXGVFIAWFXHLLFR-UHFFFAOYSA-N
XLogP5.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.28
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dichlorophenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 7732087
N-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 18081104
N-(2-ethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 8839292
N-(2,4-dichlorophenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266510
N-(5-chloro-2-hydroxyphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 56581526
2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 875851
2-methyl-3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzoic acid
CID 9326313
2-[(3-chlorophenyl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 893713
2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 7731437
2-[(4-chlorophenyl)methylsulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 846748
2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
CID 95989152
2-(2-aminoethylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 43249692

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide (CID 26589848) is N-(2,4-dichlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide is Cc1cccc(CSCC(=O)Nc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is XGVFIAWFXHLLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NOS/c1-11-3-2-4-12(7-11)9-21-10-16(20)19-15-6-5-13(17)8-14(15)18/h2-8H,9-10H2,1H3,(H,19,20).
What are the key properties of N-(2,4-dichlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
N-(2,4-dichlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 340.28 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 26589848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).