N-(2,5-dichlorophenyl)-2-methylsulfanylacetamide

C9H9Cl2NOS — CID 47097975

IUPACN-(2,5-dichlorophenyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C9H9Cl2NOS/c1-14-5-9(13)12-8-4-6(10)2-3-7(8)11/h2-4H,5H2,1H3,(H,12,13)
InChIKeySDMRVIDCQYOKQI-UHFFFAOYSA-N
MW250.15 g/mol
LogP3.29
Rot. Bonds3

About N-(2,5-dichlorophenyl)-2-methylsulfanylacetamide

N-(2,5-dichlorophenyl)-2-methylsulfanylacetamide (PubChem CID 47097975) has the molecular formula C9H9Cl2NOS and a molecular weight of 250.15 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-methylsulfanylacetamide
PubChem CID47097975
Molecular FormulaC9H9Cl2NOS
Molecular Weight250.15 g/mol
Exact Mass248.98
IUPAC NameN-(2,5-dichlorophenyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C9H9Cl2NOS/c1-14-5-9(13)12-8-4-6(10)2-3-7(8)11/h2-4H,5H2,1H3,(H,12,13)
InChIKeySDMRVIDCQYOKQI-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.15
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylacetamide
CID 26577783
2-(1-aminopropan-2-ylsulfanyl)-N-(2,5-dichlorophenyl)acetamide
CID 66220583
N-(2,5-dichlorophenyl)-2-(4-methylsulfanylphenyl)acetamide
CID 41126402
N-(2,5-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 2237735
N-(2,5-dichlorophenyl)-3-hydroxypropanamide
CID 43558723
N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-2-methylsulfanylacetamide
CID 81270273
N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylacetamide
CID 64788324
N-(2,5-dichlorophenyl)-2-(2-methylpropylamino)acetamide
CID 108993299
2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 993101
2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 7731437
N-(2,5-dichlorophenyl)-2-pyrrol-1-ylacetamide
CID 110688644
N-(2,5-dichlorophenyl)hexanamide
CID 5055577

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-methylsulfanylacetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-methylsulfanylacetamide (CID 47097975) is N-(2,5-dichlorophenyl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-methylsulfanylacetamide is CSCC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-methylsulfanylacetamide?
The InChIKey is SDMRVIDCQYOKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NOS/c1-14-5-9(13)12-8-4-6(10)2-3-7(8)11/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of N-(2,5-dichlorophenyl)-2-methylsulfanylacetamide?
N-(2,5-dichlorophenyl)-2-methylsulfanylacetamide has a molecular weight of 250.15 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-methylsulfanylacetamide is sourced from PubChem (CID 47097975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).