2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylphenyl)acetamide

C16H15Cl2NOS — CID 7935234

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CSc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C16H15Cl2NOS/c1-2-11-4-3-5-13(8-11)19-16(20)10-21-15-9-12(17)6-7-14(15)18/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyDGTXBXMQLUAGLN-UHFFFAOYSA-N
MW340.28 g/mol
LogP5.29
Rot. Bonds5

About 2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylphenyl)acetamide

2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylphenyl)acetamide (PubChem CID 7935234) has the molecular formula C16H15Cl2NOS and a molecular weight of 340.28 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylphenyl)acetamide
PubChem CID7935234
Molecular FormulaC16H15Cl2NOS
Molecular Weight340.28 g/mol
Exact Mass339.03
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CSc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C16H15Cl2NOS/c1-2-11-4-3-5-13(8-11)19-16(20)10-21-15-9-12(17)6-7-14(15)18/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyDGTXBXMQLUAGLN-UHFFFAOYSA-N
XLogP5.29
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 ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylsulfonylphenyl)acetamide
CID 86971491
N-[(3-acetamidophenyl)methyl]-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 55688771
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(3-ethylphenyl)acetamide
CID 3420454
N-(3-ethylphenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide
CID 112695322
2-(2,5-dichlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 2536490
N-(3-ethylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 112790919
1-(3-chlorophenyl)-3-(3-ethylphenyl)urea
CID 3247942
2-chloro-N-(3-ethylphenyl)acetamide
CID 2384588
2-(3-aminophenyl)sulfanyl-N-(3-ethylphenyl)acetamide
CID 79134495
2-(2,5-dichlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 7870586
2-(2,5-dichlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 42238824
2-(2,5-dichlorophenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 60552730

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylphenyl)acetamide (CID 7935234) is 2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)CSc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylphenyl)acetamide?
The InChIKey is DGTXBXMQLUAGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NOS/c1-2-11-4-3-5-13(8-11)19-16(20)10-21-15-9-12(17)6-7-14(15)18/h3-9H,2,10H2,1H3,(H,19,20).
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylphenyl)acetamide?
2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylphenyl)acetamide has a molecular weight of 340.28 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylphenyl)acetamide is sourced from PubChem (CID 7935234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).