2-(2-chloro-4-fluorophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide

C15H15ClFNO2S2 — CID 18226871

IUPAC2-(2-chloro-4-fluorophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide
SMILESO=C(COc1ccc(F)cc1Cl)NCCSCc1ccsc1
InChIInChI=1S/C15H15ClFNO2S2/c16-13-7-12(17)1-2-14(13)20-8-15(19)18-4-6-22-10-11-3-5-21-9-11/h1-3,5,7,9H,4,6,8,10H2,(H,18,19)
InChIKeyXBHWMRQFNHYDTL-UHFFFAOYSA-N
MW359.88 g/mol
LogP3.97
Rot. Bonds8

About 2-(2-chloro-4-fluorophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide

2-(2-chloro-4-fluorophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide (PubChem CID 18226871) has the molecular formula C15H15ClFNO2S2 and a molecular weight of 359.88 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide
PubChem CID18226871
Molecular FormulaC15H15ClFNO2S2
Molecular Weight359.88 g/mol
Exact Mass359.02
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide
SMILESO=C(COc1ccc(F)cc1Cl)NCCSCc1ccsc1
InChIInChI=1S/C15H15ClFNO2S2/c16-13-7-12(17)1-2-14(13)20-8-15(19)18-4-6-22-10-11-3-5-21-9-11/h1-3,5,7,9H,4,6,8,10H2,(H,18,19)
InChIKeyXBHWMRQFNHYDTL-UHFFFAOYSA-N
XLogP3.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 53.97
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)methylsulfanyl]ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 2283224
2-(2-chloro-4-fluorophenoxy)-N-propylacetamide
CID 60624592
2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 9427637
2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119429515
2-(2,4-dichlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
CID 7582593
N-(2-benzylsulfanylethyl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 7488647
2-(2-chloro-4-fluorophenoxy)-N-(2-chloroprop-2-enyl)acetamide
CID 115636624
2-(5-acetyl-2-methoxyphenyl)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide
CID 18119889
4-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]-2-hydroxybutanoic acid
CID 107831753
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 9428452
2-(2-chloro-4-fluorophenoxy)acetohydrazide
CID 3818760
2-(2-chloro-4-fluorophenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112978965

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide (CID 18226871) is 2-(2-chloro-4-fluorophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide is O=C(COc1ccc(F)cc1Cl)NCCSCc1ccsc1.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide?
The InChIKey is XBHWMRQFNHYDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2S2/c16-13-7-12(17)1-2-14(13)20-8-15(19)18-4-6-22-10-11-3-5-21-9-11/h1-3,5,7,9H,4,6,8,10H2,(H,18,19).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide?
2-(2-chloro-4-fluorophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide has a molecular weight of 359.88 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 18226871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).