N-(3,4-diethoxyphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide

C20H24FNO4S — CID 8966690

IUPACN-(3,4-diethoxyphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
SMILESCCOc1ccc(NC(=O)CSCc2cc(F)ccc2OC)cc1OCC
InChIInChI=1S/C20H24FNO4S/c1-4-25-18-9-7-16(11-19(18)26-5-2)22-20(23)13-27-12-14-10-15(21)6-8-17(14)24-3/h6-11H,4-5,12-13H2,1-3H3,(H,22,23)
InChIKeyJDPQRGQJFUQRDM-UHFFFAOYSA-N
MW393.48 g/mol
LogP4.50
Rot. Bonds10

About N-(3,4-diethoxyphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide

N-(3,4-diethoxyphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide (PubChem CID 8966690) has the molecular formula C20H24FNO4S and a molecular weight of 393.48 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
PubChem CID8966690
Molecular FormulaC20H24FNO4S
Molecular Weight393.48 g/mol
Exact Mass393.14
IUPAC NameN-(3,4-diethoxyphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
SMILESCCOc1ccc(NC(=O)CSCc2cc(F)ccc2OC)cc1OCC
InChIInChI=1S/C20H24FNO4S/c1-4-25-18-9-7-16(11-19(18)26-5-2)22-20(23)13-27-12-14-10-15(21)6-8-17(14)24-3/h6-11H,4-5,12-13H2,1-3H3,(H,22,23)
InChIKeyJDPQRGQJFUQRDM-UHFFFAOYSA-N
XLogP4.50
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(4-fluorophenyl)acetamide
CID 8965975
N-(4-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8965927
4-[[2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide
CID 8966272
N-(3,4-diethoxyphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 9046452
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 9102555
2-(cyanomethylsulfanyl)-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 43069150
2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 8966348
N-(2,4-dimethylphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8966249
N-(2-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8966479
N-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide
CID 60794299
N-(2-chloro-4,6-dimethylphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8966903
(5-fluoro-2-methoxyphenyl)methyl 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 7684392

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide (CID 8966690) is N-(3,4-diethoxyphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide is CCOc1ccc(NC(=O)CSCc2cc(F)ccc2OC)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide?
The InChIKey is JDPQRGQJFUQRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO4S/c1-4-25-18-9-7-16(11-19(18)26-5-2)22-20(23)13-27-12-14-10-15(21)6-8-17(14)24-3/h6-11H,4-5,12-13H2,1-3H3,(H,22,23).
What are the key properties of N-(3,4-diethoxyphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide?
N-(3,4-diethoxyphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide has a molecular weight of 393.48 g/mol, XLogP of 4.50, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 8966690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).