N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethoxy)acetamide

C13H18ClNO3S — CID 78808707

IUPACN-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO3S/c1-17-7-8-18-10-13(16)15-6-9-19-12-4-2-11(14)3-5-12/h2-5H,6-10H2,1H3,(H,15,16)
InChIKeyODXXAVLASUQKDX-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.21
Rot. Bonds9

About N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethoxy)acetamide

N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethoxy)acetamide (PubChem CID 78808707) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethoxy)acetamide
PubChem CID78808707
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC NameN-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO3S/c1-17-7-8-18-10-13(16)15-6-9-19-12-4-2-11(14)3-5-12/h2-5H,6-10H2,1H3,(H,15,16)
InChIKeyODXXAVLASUQKDX-UHFFFAOYSA-N
XLogP2.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119691382
[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 8872357
2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide
CID 2273690
2-(4-acetylphenoxy)-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide
CID 26374064
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,5-dichlorophenoxy)acetamide
CID 18266874
[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 7628866
3-amino-N-[2-(4-chlorophenyl)sulfanylethyl]butanamide
CID 119691377
2-(4-chlorophenyl)sulfanyl-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115700002
[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl] pyridine-2-carboxylate
CID 8860404
2-ethoxy-N-(2-phenylsulfanylethyl)acetamide
CID 60668624
[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 8872230
[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 9063268

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethoxy)acetamide (CID 78808707) is N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)NCCSc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethoxy)acetamide?
The InChIKey is ODXXAVLASUQKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c1-17-7-8-18-10-13(16)15-6-9-19-12-4-2-11(14)3-5-12/h2-5H,6-10H2,1H3,(H,15,16).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethoxy)acetamide?
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethoxy)acetamide has a molecular weight of 303.81 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 78808707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).