2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(3-chlorophenyl)acetamide

C12H17ClN2O2S — CID 82181058

IUPAC2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(3-chlorophenyl)acetamide
SMILESNCCOCCSCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O2S/c13-10-2-1-3-11(8-10)15-12(16)9-18-7-6-17-5-4-14/h1-3,8H,4-7,9,14H2,(H,15,16)
InChIKeyMZQFHMBLLBNDGW-UHFFFAOYSA-N
MW288.80 g/mol
LogP1.99
Rot. Bonds8

About 2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(3-chlorophenyl)acetamide

2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(3-chlorophenyl)acetamide (PubChem CID 82181058) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(3-chlorophenyl)acetamide
PubChem CID82181058
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(3-chlorophenyl)acetamide
SMILESNCCOCCSCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O2S/c13-10-2-1-3-11(8-10)15-12(16)9-18-7-6-17-5-4-14/h1-3,8H,4-7,9,14H2,(H,15,16)
InChIKeyMZQFHMBLLBNDGW-UHFFFAOYSA-N
XLogP1.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-2-(2-cyanoethylsulfanyl)acetamide
CID 82181411
2-(3-aminopropoxy)-N-(3-chlorophenyl)acetamide
CID 62343844
2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 82181056
[2-(3-chloroanilino)-2-oxoethyl] 2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetate
CID 7684346
2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 82181054
2-(2-aminoethylsulfanyl)-N-(3-fluorophenyl)acetamide
CID 24706980
4-chlorobutyl N-(3-chlorophenyl)carbamate
CID 112683015
N-(3-chlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
CID 7467403
N-(3-chlorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 9055593
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
2-(3-aminopropylsulfanyl)-N-(3-iodophenyl)acetamide
CID 66218573
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 60629859

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(3-chlorophenyl)acetamide (CID 82181058) is 2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(3-chlorophenyl)acetamide is NCCOCCSCC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(3-chlorophenyl)acetamide?
The InChIKey is MZQFHMBLLBNDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c13-10-2-1-3-11(8-10)15-12(16)9-18-7-6-17-5-4-14/h1-3,8H,4-7,9,14H2,(H,15,16).
What are the key properties of 2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(3-chlorophenyl)acetamide?
2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(3-chlorophenyl)acetamide has a molecular weight of 288.80 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 82181058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).