N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-hydroxy-4-methoxybenzamide

C17H18FNO3S — CID 27865734

IUPACN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCSCc2ccccc2F)c(O)c1
InChIInChI=1S/C17H18FNO3S/c1-22-13-6-7-14(16(20)10-13)17(21)19-8-9-23-11-12-4-2-3-5-15(12)18/h2-7,10,20H,8-9,11H2,1H3,(H,19,21)
InChIKeyBVVFFTVQEKISPY-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.20
Rot. Bonds7

About N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-hydroxy-4-methoxybenzamide

N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-hydroxy-4-methoxybenzamide (PubChem CID 27865734) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-hydroxy-4-methoxybenzamide
PubChem CID27865734
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC NameN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCSCc2ccccc2F)c(O)c1
InChIInChI=1S/C17H18FNO3S/c1-22-13-6-7-14(16(20)10-13)17(21)19-8-9-23-11-12-4-2-3-5-15(12)18/h2-7,10,20H,8-9,11H2,1H3,(H,19,21)
InChIKeyBVVFFTVQEKISPY-UHFFFAOYSA-N
XLogP3.20
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-hydroxy-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethoxybenzamide
CID 51196870
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 17396497
N-[(2-fluorophenyl)methyl]-2-hydroxy-5-methoxybenzamide
CID 60630315
2-amino-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzamide
CID 115412431
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-propan-2-yloxybenzamide
CID 92541687
2-hydroxy-4-methoxy-N-(4-methylsulfanylbutyl)benzamide
CID 113238429
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2,5-dimethoxybenzamide
CID 8757159
2,4-difluoro-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]benzamide
CID 46690552
2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide
CID 43090058
2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 43390117
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 132672079
2-hydroxy-N-[2-[(2-hydroxy-4-methoxyphenyl)methylamino]ethyl]benzamide;manganese
CID 67559134

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-hydroxy-4-methoxybenzamide (CID 27865734) is N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)NCCSCc2ccccc2F)c(O)c1.
What is the InChIKey of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-hydroxy-4-methoxybenzamide?
The InChIKey is BVVFFTVQEKISPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S/c1-22-13-6-7-14(16(20)10-13)17(21)19-8-9-23-11-12-4-2-3-5-15(12)18/h2-7,10,20H,8-9,11H2,1H3,(H,19,21).
What are the key properties of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-hydroxy-4-methoxybenzamide?
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-hydroxy-4-methoxybenzamide has a molecular weight of 335.40 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 27865734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).