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

C11H13Cl2NOS — CID 2288148

IUPACN-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide
SMILESCC(=O)NCCSCc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2NOS/c1-8(15)14-4-5-16-7-9-2-3-10(12)6-11(9)13/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeyGXHBSXKLEDBGRV-UHFFFAOYSA-N
MW278.20 g/mol
LogP3.36
Rot. Bonds5

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

N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide (PubChem CID 2288148) has the molecular formula C11H13Cl2NOS and a molecular weight of 278.20 g/mol. Its IUPAC name is N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide
PubChem CID2288148
Molecular FormulaC11H13Cl2NOS
Molecular Weight278.20 g/mol
Exact Mass277.01
IUPAC NameN-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide
SMILESCC(=O)NCCSCc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2NOS/c1-8(15)14-4-5-16-7-9-2-3-10(12)6-11(9)13/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeyGXHBSXKLEDBGRV-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-dichlorophenyl)-N-[2-(phenylthio)ethyl]acrylamide
CID 2283517
2-(2,4-Dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one
CID 2872053
2-[(2-chlorobenzyl)sulfanyl]-N-(propan-2-yl)acetamide
CID 875617
3-(2-chlorophenyl)-N-{2-[(4-methylbenzyl)thio]ethyl}acrylamide
CID 2251340
3-[(2-chlorobenzyl)thio]-N-cyclopentylpropanamide
CID 4615987
3-[(4-chlorobenzyl)thio]-N-cyclopentylpropanamide
CID 5215887
2-Aminoethylsulfanyl-[(2,4-dichlorophenyl)methylsulfanyl]methanone;hydrochloride
CID 162654566
2-[(2,4-Dichlorophenyl)methylsulfanyl]-3-methylbutanamide
CID 162663908
3-[(2-chlorobenzyl)thio]-N-cyclohexylpropanamide
CID 3379555
2-[(2,6-Dichlorobenzyl)sulfanyl]acetamide
CID 893931
2-((Bis(4-chlorophenyl)methyl)thio)-N-methylacetamide
CID 76314641
2-((Bis(4-chlorophenyl)methyl)thio)-N-propylacetamide
CID 76332748

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide?
The IUPAC name of N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide (CID 2288148) is N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide?
The canonical SMILES for N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide is CC(=O)NCCSCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide?
The InChIKey is GXHBSXKLEDBGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NOS/c1-8(15)14-4-5-16-7-9-2-3-10(12)6-11(9)13/h2-3,6H,4-5,7H2,1H3,(H,14,15).
What are the key properties of N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide?
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide has a molecular weight of 278.20 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide is sourced from PubChem (CID 2288148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).