2-(4-chlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide

C15H16ClNO2S2 — CID 7582665

IUPAC2-(4-chlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCSCc1cccs1
InChIInChI=1S/C15H16ClNO2S2/c16-12-3-5-13(6-4-12)19-10-15(18)17-7-9-20-11-14-2-1-8-21-14/h1-6,8H,7,9-11H2,(H,17,18)
InChIKeyBSKIMRHCOZEMLQ-UHFFFAOYSA-N
MW341.88 g/mol
LogP3.83
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide

2-(4-chlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide (PubChem CID 7582665) has the molecular formula C15H16ClNO2S2 and a molecular weight of 341.88 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
PubChem CID7582665
Molecular FormulaC15H16ClNO2S2
Molecular Weight341.88 g/mol
Exact Mass341.03
IUPAC Name2-(4-chlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCSCc1cccs1
InChIInChI=1S/C15H16ClNO2S2/c16-12-3-5-13(6-4-12)19-10-15(18)17-7-9-20-11-14-2-1-8-21-14/h1-6,8H,7,9-11H2,(H,17,18)
InChIKeyBSKIMRHCOZEMLQ-UHFFFAOYSA-N
XLogP3.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 53.83
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

2-(2,4-dichlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
CID 7582593
[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 2-chlorobenzoate
CID 8860321
2-(4-chlorophenoxy)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide
CID 2290637
[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 8948302
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(4-cyanophenoxy)acetamide
CID 7582555
2,5-dichloro-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
CID 46819854
N-[3-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethoxy]phenyl]furan-2-carboxamide
CID 46575958
[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 4-fluorobenzoate
CID 8861273
[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] naphthalene-2-carboxylate
CID 8866315
2-(3,4-dichlorophenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 7604220
1-(4-chlorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide
CID 24548909
2-(4-chlorophenoxy)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 2330945

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide (CID 7582665) is 2-(4-chlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide is O=C(COc1ccc(Cl)cc1)NCCSCc1cccs1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide?
The InChIKey is BSKIMRHCOZEMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S2/c16-12-3-5-13(6-4-12)19-10-15(18)17-7-9-20-11-14-2-1-8-21-14/h1-6,8H,7,9-11H2,(H,17,18).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide?
2-(4-chlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide has a molecular weight of 341.88 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 7582665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).