(2-anilino-2-oxoethyl) 2-(2,5-dichlorophenyl)sulfanylacetate

C16H13Cl2NO3S — CID 7701715

IUPAC(2-anilino-2-oxoethyl) 2-(2,5-dichlorophenyl)sulfanylacetate
SMILESO=C(COC(=O)CSc1cc(Cl)ccc1Cl)Nc1ccccc1
InChIInChI=1S/C16H13Cl2NO3S/c17-11-6-7-13(18)14(8-11)23-10-16(21)22-9-15(20)19-12-4-2-1-3-5-12/h1-8H,9-10H2,(H,19,20)
InChIKeyFSFPUJOQWYVVMD-UHFFFAOYSA-N
MW370.26 g/mol
LogP4.27
Rot. Bonds6

About (2-anilino-2-oxoethyl) 2-(2,5-dichlorophenyl)sulfanylacetate

(2-anilino-2-oxoethyl) 2-(2,5-dichlorophenyl)sulfanylacetate (PubChem CID 7701715) has the molecular formula C16H13Cl2NO3S and a molecular weight of 370.26 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2-(2,5-dichlorophenyl)sulfanylacetate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2-(2,5-dichlorophenyl)sulfanylacetate
PubChem CID7701715
Molecular FormulaC16H13Cl2NO3S
Molecular Weight370.26 g/mol
Exact Mass369.00
IUPAC Name(2-anilino-2-oxoethyl) 2-(2,5-dichlorophenyl)sulfanylacetate
SMILESO=C(COC(=O)CSc1cc(Cl)ccc1Cl)Nc1ccccc1
InChIInChI=1S/C16H13Cl2NO3S/c17-11-6-7-13(18)14(8-11)23-10-16(21)22-9-15(20)19-12-4-2-1-3-5-12/h1-8H,9-10H2,(H,19,20)
InChIKeyFSFPUJOQWYVVMD-UHFFFAOYSA-N
XLogP4.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701712
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701760
[2-(2-cyanoanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701692
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701704
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701533
[2-(4-chloroanilino)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate
CID 7889811
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 9167168
[2-(3-chloroanilino)-2-oxoethyl] 2-(2-nitrophenyl)sulfanylacetate
CID 7992469
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 23966002
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate
CID 7555273
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 31393130
(2-oxo-2-piperidin-1-ylethyl) 2-(2,5-dichlorophenyl)sulfanylacetate
CID 55313686

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 2-(2,5-dichlorophenyl)sulfanylacetate?
The IUPAC name of (2-anilino-2-oxoethyl) 2-(2,5-dichlorophenyl)sulfanylacetate (CID 7701715) is (2-anilino-2-oxoethyl) 2-(2,5-dichlorophenyl)sulfanylacetate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2-(2,5-dichlorophenyl)sulfanylacetate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2-(2,5-dichlorophenyl)sulfanylacetate is O=C(COC(=O)CSc1cc(Cl)ccc1Cl)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 2-(2,5-dichlorophenyl)sulfanylacetate?
The InChIKey is FSFPUJOQWYVVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO3S/c17-11-6-7-13(18)14(8-11)23-10-16(21)22-9-15(20)19-12-4-2-1-3-5-12/h1-8H,9-10H2,(H,19,20).
What are the key properties of (2-anilino-2-oxoethyl) 2-(2,5-dichlorophenyl)sulfanylacetate?
(2-anilino-2-oxoethyl) 2-(2,5-dichlorophenyl)sulfanylacetate has a molecular weight of 370.26 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 2-(2,5-dichlorophenyl)sulfanylacetate is sourced from PubChem (CID 7701715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).