N-(benzylsulfanylmethyl)-N-(4-fluorophenyl)formamide

C15H14FNOS — CID 140983444

IUPACN-(benzylsulfanylmethyl)-N-(4-fluorophenyl)formamide
SMILESO=CN(CSCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H14FNOS/c16-14-6-8-15(9-7-14)17(11-18)12-19-10-13-4-2-1-3-5-13/h1-9,11H,10,12H2
InChIKeyMHOZXYOVDMVUQM-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.68
Rot. Bonds6

About N-(benzylsulfanylmethyl)-N-(4-fluorophenyl)formamide

N-(benzylsulfanylmethyl)-N-(4-fluorophenyl)formamide (PubChem CID 140983444) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(benzylsulfanylmethyl)-N-(4-fluorophenyl)formamide.

Molecular Properties

Compound NameN-(benzylsulfanylmethyl)-N-(4-fluorophenyl)formamide
PubChem CID140983444
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC NameN-(benzylsulfanylmethyl)-N-(4-fluorophenyl)formamide
SMILESO=CN(CSCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H14FNOS/c16-14-6-8-15(9-7-14)17(11-18)12-19-10-13-4-2-1-3-5-13/h1-9,11H,10,12H2
InChIKeyMHOZXYOVDMVUQM-UHFFFAOYSA-N
XLogP3.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(benzylsulfanylmethyl)-N-(4-fluorophenyl)formamide?
The IUPAC name of N-(benzylsulfanylmethyl)-N-(4-fluorophenyl)formamide (CID 140983444) is N-(benzylsulfanylmethyl)-N-(4-fluorophenyl)formamide.
What is the SMILES notation for N-(benzylsulfanylmethyl)-N-(4-fluorophenyl)formamide?
The canonical SMILES for N-(benzylsulfanylmethyl)-N-(4-fluorophenyl)formamide is O=CN(CSCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-(benzylsulfanylmethyl)-N-(4-fluorophenyl)formamide?
The InChIKey is MHOZXYOVDMVUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNOS/c16-14-6-8-15(9-7-14)17(11-18)12-19-10-13-4-2-1-3-5-13/h1-9,11H,10,12H2.
What are the key properties of N-(benzylsulfanylmethyl)-N-(4-fluorophenyl)formamide?
N-(benzylsulfanylmethyl)-N-(4-fluorophenyl)formamide has a molecular weight of 275.35 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylsulfanylmethyl)-N-(4-fluorophenyl)formamide is sourced from PubChem (CID 140983444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).