N-[(4-fluorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide

C17H17F2NOS — CID 5051688

IUPACN-[(4-fluorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide
SMILESO=C(CCSCc1ccccc1F)NCc1ccc(F)cc1
InChIInChI=1S/C17H17F2NOS/c18-15-7-5-13(6-8-15)11-20-17(21)9-10-22-12-14-3-1-2-4-16(14)19/h1-8H,9-12H2,(H,20,21)
InChIKeyJWXJCDHFNVCWLL-UHFFFAOYSA-N
MW321.39 g/mol
LogP3.90
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide

N-[(4-fluorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide (PubChem CID 5051688) has the molecular formula C17H17F2NOS and a molecular weight of 321.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide
PubChem CID5051688
Molecular FormulaC17H17F2NOS
Molecular Weight321.39 g/mol
Exact Mass321.10
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide
SMILESO=C(CCSCc1ccccc1F)NCc1ccc(F)cc1
InChIInChI=1S/C17H17F2NOS/c18-15-7-5-13(6-8-15)11-20-17(21)9-10-22-12-14-3-1-2-4-16(14)19/h1-8H,9-12H2,(H,20,21)
InChIKeyJWXJCDHFNVCWLL-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-[(4-methylphenyl)sulfanyl]acetamide
CID 846551
N-benzyl-2-(phenylthio)acetamide
CID 846429
2-(2-Fluorophenyl)-1,3-thiazolan-4-one
CID 2732088
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
Propanamide, 3,3'-thiobis[N-(phenylmethyl)-
CID 562133
3-Benzyl-5-methyl-2-phenyl-thiazolidin-4-one
CID 2839914
2-(benzylthio)-N-(4-methylbenzyl)acetamide
CID 817430
N-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)thio]acetamide
CID 881507
N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 977302
3-(benzylsulfonyl)-N-(2-phenylethyl)propanamide
CID 2228178
N-(2-phenylethyl)-2-(phenylthio)propanamide
CID 2889783
N-(4-fluorobenzyl)-2-[(4-methylphenyl)thio]propanamide
CID 2977027

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide (CID 5051688) is N-[(4-fluorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide is O=C(CCSCc1ccccc1F)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide?
The InChIKey is JWXJCDHFNVCWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NOS/c18-15-7-5-13(6-8-15)11-20-17(21)9-10-22-12-14-3-1-2-4-16(14)19/h1-8H,9-12H2,(H,20,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide?
N-[(4-fluorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide has a molecular weight of 321.39 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide is sourced from PubChem (CID 5051688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).