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

C20H24FNO3S — CID 4083010

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide
SMILESCCOc1ccc(CNC(=O)CCSCc2ccccc2F)cc1OC
InChIInChI=1S/C20H24FNO3S/c1-3-25-18-9-8-15(12-19(18)24-2)13-22-20(23)10-11-26-14-16-6-4-5-7-17(16)21/h4-9,12H,3,10-11,13-14H2,1-2H3,(H,22,23)
InChIKeyZBSGGTKJSSLSBU-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.17
Rot. Bonds10

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

N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide (PubChem CID 4083010) has the molecular formula C20H24FNO3S and a molecular weight of 377.48 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide
PubChem CID4083010
Molecular FormulaC20H24FNO3S
Molecular Weight377.48 g/mol
Exact Mass377.15
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide
SMILESCCOc1ccc(CNC(=O)CCSCc2ccccc2F)cc1OC
InChIInChI=1S/C20H24FNO3S/c1-3-25-18-9-8-15(12-19(18)24-2)13-22-20(23)10-11-26-14-16-6-4-5-7-17(16)21/h4-9,12H,3,10-11,13-14H2,1-2H3,(H,22,23)
InChIKeyZBSGGTKJSSLSBU-UHFFFAOYSA-N
XLogP4.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.17
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

3-[(2-chlorophenyl)methylsulfanyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide
CID 4988113
1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 38383800
N-[(3,4-dimethoxyphenyl)methyl]-N'-[(2-fluorophenyl)methyl]propanediamide
CID 108946228
1-[(3,4-dimethoxyphenyl)methyl]-3-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methylguanidine;hydroiodide
CID 111200599
1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-[2-(2-fluorophenyl)ethyl]-2-methylguanidine
CID 111361549
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[(3,4-diethoxyphenyl)methyl]acetamide
CID 100532693
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenoxy)propanamide
CID 51143155
3-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide
CID 46478795
3-(3,4-dimethoxyphenyl)-N-[(2-ethoxyphenyl)methyl]propanamide
CID 43908307
3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 109020704
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 55659713
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2399525

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide (CID 4083010) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide is CCOc1ccc(CNC(=O)CCSCc2ccccc2F)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide?
The InChIKey is ZBSGGTKJSSLSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3S/c1-3-25-18-9-8-15(12-19(18)24-2)13-22-20(23)10-11-26-14-16-6-4-5-7-17(16)21/h4-9,12H,3,10-11,13-14H2,1-2H3,(H,22,23).
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide has a molecular weight of 377.48 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide is sourced from PubChem (CID 4083010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).