(5-fluoro-2-methoxyphenyl)methyl 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate

C18H17ClFNO4S — CID 7684392

IUPAC(5-fluoro-2-methoxyphenyl)methyl 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
SMILESCOc1ccc(F)cc1COC(=O)CSCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClFNO4S/c1-24-16-7-4-14(20)8-12(16)9-25-18(23)11-26-10-17(22)21-15-5-2-13(19)3-6-15/h2-8H,9-11H2,1H3,(H,21,22)
InChIKeyQWMPWDXWTLLXLX-UHFFFAOYSA-N
MW397.86 g/mol
LogP3.90
Rot. Bonds8

About (5-fluoro-2-methoxyphenyl)methyl 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate

(5-fluoro-2-methoxyphenyl)methyl 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate (PubChem CID 7684392) has the molecular formula C18H17ClFNO4S and a molecular weight of 397.86 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)methyl 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)methyl 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
PubChem CID7684392
Molecular FormulaC18H17ClFNO4S
Molecular Weight397.86 g/mol
Exact Mass397.06
IUPAC Name(5-fluoro-2-methoxyphenyl)methyl 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
SMILESCOc1ccc(F)cc1COC(=O)CSCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClFNO4S/c1-24-16-7-4-14(20)8-12(16)9-25-18(23)11-26-10-17(22)21-15-5-2-13(19)3-6-15/h2-8H,9-11H2,1H3,(H,21,22)
InChIKeyQWMPWDXWTLLXLX-UHFFFAOYSA-N
XLogP3.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chlorophenyl)methyl 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 7812349
2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(4-fluorophenyl)acetamide
CID 8965975
[2-(2,5-difluorophenyl)-2-oxoethyl] 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 7684405
4-[[2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide
CID 8966272
N-(4-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8965927
N-(4-fluorophenyl)-2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanylacetamide
CID 24536642
N-(3,4-diethoxyphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8966690
2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9241198
(5-fluoro-2-methoxyphenyl)methyl 3-aminopropanoate
CID 94260078
N-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetamide
CID 78804409
2-(4-methoxyphenyl)ethyl 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 7429524
2-[2-(4-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 1193965

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)methyl 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate?
The IUPAC name of (5-fluoro-2-methoxyphenyl)methyl 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate (CID 7684392) is (5-fluoro-2-methoxyphenyl)methyl 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)methyl 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)methyl 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate is COc1ccc(F)cc1COC(=O)CSCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)methyl 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate?
The InChIKey is QWMPWDXWTLLXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO4S/c1-24-16-7-4-14(20)8-12(16)9-25-18(23)11-26-10-17(22)21-15-5-2-13(19)3-6-15/h2-8H,9-11H2,1H3,(H,21,22).
What are the key properties of (5-fluoro-2-methoxyphenyl)methyl 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate?
(5-fluoro-2-methoxyphenyl)methyl 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate has a molecular weight of 397.86 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)methyl 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate is sourced from PubChem (CID 7684392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).