2-[(3-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide

C14H14FNO2S — CID 51168945

IUPAC2-[(3-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSCc1cccc(F)c1)NCc1ccco1
InChIInChI=1S/C14H14FNO2S/c15-12-4-1-3-11(7-12)9-19-10-14(17)16-8-13-5-2-6-18-13/h1-7H,8-10H2,(H,16,17)
InChIKeyFWJMWOPQXTWZNB-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.97
Rot. Bonds6

About 2-[(3-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide

2-[(3-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 51168945) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID51168945
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC Name2-[(3-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSCc1cccc(F)c1)NCc1ccco1
InChIInChI=1S/C14H14FNO2S/c15-12-4-1-3-11(7-12)9-19-10-14(17)16-8-13-5-2-6-18-13/h1-7H,8-10H2,(H,16,17)
InChIKeyFWJMWOPQXTWZNB-UHFFFAOYSA-N
XLogP2.97
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 51168885
N-[(3,4-dichlorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]acetamide
CID 3379552
N-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 31087778
N-(furan-2-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 676282
2-[[2-(2,5-difluorophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9080896
2-[2-(3-fluorophenyl)ethylamino]-N-(furan-2-ylmethyl)propanamide
CID 43401439
2-(2,3-dihydroxypropylsulfanyl)-N-(furan-2-ylmethyl)acetamide
CID 79683092
2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethyl)acetamide
CID 66288226
N-(furan-2-ylmethyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 31182177
N-(2,5-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780738
6-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)furo[2,3-b]pyrrole-5-carboxamide
CID 42797139
N-(furan-2-ylmethyl)-2-(3-methylphenyl)acetamide
CID 6466784

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide (CID 51168945) is 2-[(3-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide is O=C(CSCc1cccc(F)c1)NCc1ccco1.
What is the InChIKey of 2-[(3-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is FWJMWOPQXTWZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c15-12-4-1-3-11(7-12)9-19-10-14(17)16-8-13-5-2-6-18-13/h1-7H,8-10H2,(H,16,17).
What are the key properties of 2-[(3-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide?
2-[(3-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 51168945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).