2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide

C14H13ClFNO2S — CID 51168885

IUPAC2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSCc1ccc(F)cc1Cl)NCc1ccco1
InChIInChI=1S/C14H13ClFNO2S/c15-13-6-11(16)4-3-10(13)8-20-9-14(18)17-7-12-2-1-5-19-12/h1-6H,7-9H2,(H,17,18)
InChIKeyKINXRCCZGXBYAF-UHFFFAOYSA-N
MW313.78 g/mol
LogP3.62
Rot. Bonds6

About 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide

2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 51168885) has the molecular formula C14H13ClFNO2S and a molecular weight of 313.78 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID51168885
Molecular FormulaC14H13ClFNO2S
Molecular Weight313.78 g/mol
Exact Mass313.03
IUPAC Name2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSCc1ccc(F)cc1Cl)NCc1ccco1
InChIInChI=1S/C14H13ClFNO2S/c15-13-6-11(16)4-3-10(13)8-20-9-14(18)17-7-12-2-1-5-19-12/h1-6H,7-9H2,(H,17,18)
InChIKeyKINXRCCZGXBYAF-UHFFFAOYSA-N
XLogP3.62
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 51168945
2-[(S)-(2-chloro-4-fluorophenyl)methylsulfinyl]-N-(furan-2-ylmethyl)acetamide
CID 95313005
N-(furan-2-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 676282
N-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 31087778
2-[[2-(2,5-difluorophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9080896
3-[1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 46247564
2-(5-fluoro-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 110488713
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(3-methylbutan-2-yl)acetamide
CID 134017055
N-[4-[[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 60575821
N-(2,5-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780738
2-(2-chloro-6-fluorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 2161159
2-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 2082030

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide (CID 51168885) is 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide is O=C(CSCc1ccc(F)cc1Cl)NCc1ccco1.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is KINXRCCZGXBYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2S/c15-13-6-11(16)4-3-10(13)8-20-9-14(18)17-7-12-2-1-5-19-12/h1-6H,7-9H2,(H,17,18).
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide?
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 313.78 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 51168885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).