N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]acetamide

C11H14ClNOS — CID 2284387

IUPACN-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]acetamide
SMILESCC(=O)NCCSCc1ccccc1Cl
InChIInChI=1S/C11H14ClNOS/c1-9(14)13-6-7-15-8-10-4-2-3-5-11(10)12/h2-5H,6-8H2,1H3,(H,13,14)
InChIKeyRKFKUNIHFYCXBA-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.71
Rot. Bonds5

About N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]acetamide

N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]acetamide (PubChem CID 2284387) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]acetamide
PubChem CID2284387
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC NameN-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]acetamide
SMILESCC(=O)NCCSCc1ccccc1Cl
InChIInChI=1S/C11H14ClNOS/c1-9(14)13-6-7-15-8-10-4-2-3-5-11(10)12/h2-5H,6-8H2,1H3,(H,13,14)
InChIKeyRKFKUNIHFYCXBA-UHFFFAOYSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.71
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]acetamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]acetamide (CID 2284387) is N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]acetamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]acetamide is CC(=O)NCCSCc1ccccc1Cl.
What is the InChIKey of N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]acetamide?
The InChIKey is RKFKUNIHFYCXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c1-9(14)13-6-7-15-8-10-4-2-3-5-11(10)12/h2-5H,6-8H2,1H3,(H,13,14).
What are the key properties of N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]acetamide?
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]acetamide has a molecular weight of 243.76 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]acetamide is sourced from PubChem (CID 2284387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).