N-(2,5-diethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide

C18H20FNO3S — CID 43000702

IUPACN-(2,5-diethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CSc2ccc(F)cc2)c1
InChIInChI=1S/C18H20FNO3S/c1-3-22-14-7-10-17(23-4-2)16(11-14)20-18(21)12-24-15-8-5-13(19)6-9-15/h5-11H,3-4,12H2,1-2H3,(H,20,21)
InChIKeyKVGZGUALRKUWTQ-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.35
Rot. Bonds8

About N-(2,5-diethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide

N-(2,5-diethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 43000702) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID43000702
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC NameN-(2,5-diethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CSc2ccc(F)cc2)c1
InChIInChI=1S/C18H20FNO3S/c1-3-22-14-7-10-17(23-4-2)16(11-14)20-18(21)12-24-15-8-5-13(19)6-9-15/h5-11H,3-4,12H2,1-2H3,(H,20,21)
InChIKeyKVGZGUALRKUWTQ-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2609676
N-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide
CID 33312505
N-(2,5-diethoxyphenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4035892
4-(4-chlorophenyl)sulfanyl-N-(2,5-diethoxyphenyl)butanamide
CID 16549738
N-(2,5-diethoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
CID 863167
N-(2,5-diethoxyphenyl)-2-(3-fluorophenyl)acetamide
CID 26179952
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907113
N-(2,5-diethoxyphenyl)-2-methoxyacetamide
CID 34737899
1-(2,5-diethoxyphenyl)-3-(2,4-difluorophenyl)urea
CID 46859658
2-(4-ethoxyphenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 134028864
4-(2,5-diethoxyanilino)-4-oxobutanoic acid
CID 1133656
2-[[5-[2-(2,5-diethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 36609082

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide (CID 43000702) is N-(2,5-diethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide is CCOc1ccc(OCC)c(NC(=O)CSc2ccc(F)cc2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is KVGZGUALRKUWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c1-3-22-14-7-10-17(23-4-2)16(11-14)20-18(21)12-24-15-8-5-13(19)6-9-15/h5-11H,3-4,12H2,1-2H3,(H,20,21).
What are the key properties of N-(2,5-diethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide?
N-(2,5-diethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 349.43 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 43000702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).