N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-(2-fluorophenoxy)acetamide

C18H19FN2O5S — CID 7482945

IUPACN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-(2-fluorophenoxy)acetamide
SMILESCOc1cc(N2CCCS2(=O)=O)ccc1NC(=O)COc1ccccc1F
InChIInChI=1S/C18H19FN2O5S/c1-25-17-11-13(21-9-4-10-27(21,23)24)7-8-15(17)20-18(22)12-26-16-6-3-2-5-14(16)19/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,20,22)
InChIKeyYIXFBBUGAGELSB-UHFFFAOYSA-N
MW394.42 g/mol
LogP2.39
Rot. Bonds6

About N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-(2-fluorophenoxy)acetamide

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-(2-fluorophenoxy)acetamide (PubChem CID 7482945) has the molecular formula C18H19FN2O5S and a molecular weight of 394.42 g/mol. Its IUPAC name is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-(2-fluorophenoxy)acetamide
PubChem CID7482945
Molecular FormulaC18H19FN2O5S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-(2-fluorophenoxy)acetamide
SMILESCOc1cc(N2CCCS2(=O)=O)ccc1NC(=O)COc1ccccc1F
InChIInChI=1S/C18H19FN2O5S/c1-25-17-11-13(21-9-4-10-27(21,23)24)7-8-15(17)20-18(22)12-26-16-6-3-2-5-14(16)19/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,20,22)
InChIKeyYIXFBBUGAGELSB-UHFFFAOYSA-N
XLogP2.39
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-(3-methoxyphenoxy)acetamide
CID 7482949
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-(4-phenylphenyl)acetamide
CID 43955579
phenyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]carbamate
CID 7627629
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methylbenzamide
CID 7627594
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 7638794
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxybenzamide
CID 7627668
1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(2-methoxyphenyl)urea
CID 30374705
N-(2-fluoro-5-piperidin-1-ylphenyl)-2-(2-methoxyphenoxy)acetamide
CID 110362257
N-(2,5-dimethoxyphenyl)-2-(2-fluorophenoxy)acetamide
CID 7962741
N-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenoxy)acetamide
CID 2326605
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxybenzoic acid
CID 71252082
3-acetamido-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]propanamide
CID 110421393

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-(2-fluorophenoxy)acetamide (CID 7482945) is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-(2-fluorophenoxy)acetamide is COc1cc(N2CCCS2(=O)=O)ccc1NC(=O)COc1ccccc1F.
What is the InChIKey of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is YIXFBBUGAGELSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O5S/c1-25-17-11-13(21-9-4-10-27(21,23)24)7-8-15(17)20-18(22)12-26-16-6-3-2-5-14(16)19/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,20,22).
What are the key properties of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-(2-fluorophenoxy)acetamide?
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 394.42 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 7482945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).