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

C16H16FNO3S — CID 2609676

IUPACN-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2ccc(F)cc2)c1
InChIInChI=1S/C16H16FNO3S/c1-20-12-5-8-15(21-2)14(9-12)18-16(19)10-22-13-6-3-11(17)4-7-13/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyREQAQHLYTMSITE-UHFFFAOYSA-N
MW321.37 g/mol
LogP3.57
Rot. Bonds6

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

N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 2609676) has the molecular formula C16H16FNO3S and a molecular weight of 321.37 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID2609676
Molecular FormulaC16H16FNO3S
Molecular Weight321.37 g/mol
Exact Mass321.08
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2ccc(F)cc2)c1
InChIInChI=1S/C16H16FNO3S/c1-20-12-5-8-15(21-2)14(9-12)18-16(19)10-22-13-6-3-11(17)4-7-13/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyREQAQHLYTMSITE-UHFFFAOYSA-N
XLogP3.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907113
2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 846639
N-(2,5-diethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 43000702
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 7744036
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2,5-dimethoxyphenyl)acetamide
CID 7652740
2-(4-chlorophenyl)-N-[4-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]acetamide
CID 23096738
N-(2,5-dimethoxyphenyl)-2-[[2-(4-fluorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-4-yl]sulfanyl]acetamide
CID 53109544
N-(2,5-dimethoxyphenyl)-3-(4-fluoroanilino)propanamide
CID 109037732
N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 51159707
N-(2,5-dimethoxyphenyl)-2-[[5-[1-(4-fluorophenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17307040
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 2497046

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide (CID 2609676) is N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide is COc1ccc(OC)c(NC(=O)CSc2ccc(F)cc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is REQAQHLYTMSITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3S/c1-20-12-5-8-15(21-2)14(9-12)18-16(19)10-22-13-6-3-11(17)4-7-13/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide?
N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 321.37 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 2609676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).