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

C14H18FNO2S — CID 46772556

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CSCc1ccc(F)cc1)NCC1CCCO1
InChIInChI=1S/C14H18FNO2S/c15-12-5-3-11(4-6-12)9-19-10-14(17)16-8-13-2-1-7-18-13/h3-6,13H,1-2,7-10H2,(H,16,17)
InChIKeyVAGWKBJMFCVATJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.35
Rot. Bonds6

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

2-[(4-fluorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 46772556) has the molecular formula C14H18FNO2S and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID46772556
Molecular FormulaC14H18FNO2S
Molecular Weight283.37 g/mol
Exact Mass283.10
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CSCc1ccc(F)cc1)NCC1CCCO1
InChIInChI=1S/C14H18FNO2S/c15-12-5-3-11(4-6-12)9-19-10-14(17)16-8-13-2-1-7-18-13/h3-6,13H,1-2,7-10H2,(H,16,17)
InChIKeyVAGWKBJMFCVATJ-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 3148058
3-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide
CID 2948475
3-(phenylthio)-N-(tetrahydro-2-furanylmethyl)propanamide
CID 2951053
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 2969276
3-[(2-fluorobenzyl)thio]-N-(2-methoxyethyl)propanamide
CID 3236068
3-[(4-methylbenzyl)sulfonyl]-N-(tetrahydrofuran-2-ylmethyl)propanamide
CID 3237021
2-[(4-methylphenyl)sulfanyl]-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 3144141
Acetamide, N-tetrahydrofurfuryl-2-phenylthio-
CID 532040
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 2947787
2-(benzylsulfonyl)-N-(tetrahydro-2-furanylmethyl)acetamide
CID 2952397
3-benzylsulfonyl-N-(oxolan-2-ylmethyl)propanamide
CID 2974815
2-[(4-chlorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 2896894

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide (CID 46772556) is 2-[(4-fluorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide is O=C(CSCc1ccc(F)cc1)NCC1CCCO1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is VAGWKBJMFCVATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2S/c15-12-5-3-11(4-6-12)9-19-10-14(17)16-8-13-2-1-7-18-13/h3-6,13H,1-2,7-10H2,(H,16,17).
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
2-[(4-fluorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 283.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 46772556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).