(4-chlorophenyl)methyl 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate

C17H15ClFNO3S — CID 7812602

IUPAC(4-chlorophenyl)methyl 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate
SMILESO=C(CSCC(=O)OCc1ccc(Cl)cc1)Nc1ccccc1F
InChIInChI=1S/C17H15ClFNO3S/c18-13-7-5-12(6-8-13)9-23-17(22)11-24-10-16(21)20-15-4-2-1-3-14(15)19/h1-8H,9-11H2,(H,20,21)
InChIKeyHXCOSRURYHYERZ-UHFFFAOYSA-N
MW367.83 g/mol
LogP3.89
Rot. Bonds7

About (4-chlorophenyl)methyl 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate

(4-chlorophenyl)methyl 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate (PubChem CID 7812602) has the molecular formula C17H15ClFNO3S and a molecular weight of 367.83 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate
PubChem CID7812602
Molecular FormulaC17H15ClFNO3S
Molecular Weight367.83 g/mol
Exact Mass367.04
IUPAC Name(4-chlorophenyl)methyl 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate
SMILESO=C(CSCC(=O)OCc1ccc(Cl)cc1)Nc1ccccc1F
InChIInChI=1S/C17H15ClFNO3S/c18-13-7-5-12(6-8-13)9-23-17(22)11-24-10-16(21)20-15-4-2-1-3-14(15)19/h1-8H,9-11H2,(H,20,21)
InChIKeyHXCOSRURYHYERZ-UHFFFAOYSA-N
XLogP3.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 7812607
methyl 4-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]oxymethyl]benzoate
CID 7812614
(4-chlorophenyl)methyl 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 7812349
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 7812479
N-(5-chloro-2-pyridinyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 2534109
ethyl 2-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 8604681
methyl 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]benzoate
CID 875754
N-(2-acetylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 8580172
N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 1278117
[2-(2-fluoroanilino)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 2543479
(2-fluorophenyl)methyl 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetate
CID 7430388
2-(2-amino-2-methylpropyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 66228322

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate?
The IUPAC name of (4-chlorophenyl)methyl 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate (CID 7812602) is (4-chlorophenyl)methyl 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate.
What is the SMILES notation for (4-chlorophenyl)methyl 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate?
The canonical SMILES for (4-chlorophenyl)methyl 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate is O=C(CSCC(=O)OCc1ccc(Cl)cc1)Nc1ccccc1F.
What is the InChIKey of (4-chlorophenyl)methyl 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate?
The InChIKey is HXCOSRURYHYERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO3S/c18-13-7-5-12(6-8-13)9-23-17(22)11-24-10-16(21)20-15-4-2-1-3-14(15)19/h1-8H,9-11H2,(H,20,21).
What are the key properties of (4-chlorophenyl)methyl 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate?
(4-chlorophenyl)methyl 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate has a molecular weight of 367.83 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate is sourced from PubChem (CID 7812602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).