N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethoxybenzamide

C18H20FNO3S — CID 51196870

IUPACN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NCCSCc2ccccc2F)c1
InChIInChI=1S/C18H20FNO3S/c1-22-14-7-8-17(23-2)15(11-14)18(21)20-9-10-24-12-13-5-3-4-6-16(13)19/h3-8,11H,9-10,12H2,1-2H3,(H,20,21)
InChIKeyPJVXQLALVWNSDT-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.51
Rot. Bonds8

About N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethoxybenzamide

N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethoxybenzamide (PubChem CID 51196870) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethoxybenzamide
PubChem CID51196870
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC NameN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NCCSCc2ccccc2F)c1
InChIInChI=1S/C18H20FNO3S/c1-22-14-7-8-17(23-2)15(11-14)18(21)20-9-10-24-12-13-5-3-4-6-16(13)19/h3-8,11H,9-10,12H2,1-2H3,(H,20,21)
InChIKeyPJVXQLALVWNSDT-UHFFFAOYSA-N
XLogP3.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-hydroxy-4-methoxybenzamide
CID 27865734
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2,5-dimethoxybenzamide
CID 8757159
N-[2-(2-fluorophenoxy)ethyl]-2,5-dimethoxybenzamide
CID 18113619
3-methoxy-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]naphthalene-2-carboxamide
CID 92679628
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 17396497
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-methoxyphenoxy)propanamide
CID 132654566
5-amino-N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzamide
CID 61092730
N-(2-benzylsulfanylethyl)-2-methoxy-5-methylbenzamide
CID 9470342
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-propan-2-yloxybenzamide
CID 92541687
2,4-difluoro-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]benzamide
CID 46690552
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 133261844
1-(5-chloro-2-methoxybenzoyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide
CID 55622930

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethoxybenzamide?
The IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethoxybenzamide (CID 51196870) is N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethoxybenzamide?
The canonical SMILES for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)NCCSCc2ccccc2F)c1.
What is the InChIKey of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethoxybenzamide?
The InChIKey is PJVXQLALVWNSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c1-22-14-7-8-17(23-2)15(11-14)18(21)20-9-10-24-12-13-5-3-4-6-16(13)19/h3-8,11H,9-10,12H2,1-2H3,(H,20,21).
What are the key properties of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethoxybenzamide?
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethoxybenzamide has a molecular weight of 349.43 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethoxybenzamide is sourced from PubChem (CID 51196870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).