(2-anilino-2-oxoethyl) 2-(4-chlorophenyl)sulfanylacetate

C16H14ClNO3S — CID 2524592

IUPAC(2-anilino-2-oxoethyl) 2-(4-chlorophenyl)sulfanylacetate
SMILESO=C(COC(=O)CSc1ccc(Cl)cc1)Nc1ccccc1
InChIInChI=1S/C16H14ClNO3S/c17-12-6-8-14(9-7-12)22-11-16(20)21-10-15(19)18-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,19)
InChIKeyDLXAMUKNAXRHNY-UHFFFAOYSA-N
MW335.81 g/mol
LogP3.61
Rot. Bonds6

About (2-anilino-2-oxoethyl) 2-(4-chlorophenyl)sulfanylacetate

(2-anilino-2-oxoethyl) 2-(4-chlorophenyl)sulfanylacetate (PubChem CID 2524592) has the molecular formula C16H14ClNO3S and a molecular weight of 335.81 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2-(4-chlorophenyl)sulfanylacetate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2-(4-chlorophenyl)sulfanylacetate
PubChem CID2524592
Molecular FormulaC16H14ClNO3S
Molecular Weight335.81 g/mol
Exact Mass335.04
IUPAC Name(2-anilino-2-oxoethyl) 2-(4-chlorophenyl)sulfanylacetate
SMILESO=C(COC(=O)CSc1ccc(Cl)cc1)Nc1ccccc1
InChIInChI=1S/C16H14ClNO3S/c17-12-6-8-14(9-7-12)22-11-16(20)21-10-15(19)18-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,19)
InChIKeyDLXAMUKNAXRHNY-UHFFFAOYSA-N
XLogP3.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,4-Difluoroanilino)-2-oxoethyl] 2-phenylsulfanylacetate
CID 2616604
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 4786408
[2-(2-Chloro-4-fluoroanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2379715
[2-(2,5-Difluoroanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2381508
[2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 4783361
(2-Anilino-2-oxoethyl) 3-(benzenesulfonyl)propanoate
CID 9362063
(2-Anilino-2-oxoethyl) 3-phenylsulfanylpropanoate
CID 2382834
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 3-(2-chlorophenyl)sulfanylpropanoate
CID 3640767
[2-(5-Chloro-2-methylanilino)-2-oxoethyl] 2-phenylsulfanylacetate
CID 4803825
2-[(4-chlorophenyl)sulfanyl]-N-phenylacetamide
CID 302745
[2-(2,4-Difluoroanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate
CID 2357037
[2-[2-Chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 3462727

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 2-(4-chlorophenyl)sulfanylacetate?
The IUPAC name of (2-anilino-2-oxoethyl) 2-(4-chlorophenyl)sulfanylacetate (CID 2524592) is (2-anilino-2-oxoethyl) 2-(4-chlorophenyl)sulfanylacetate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2-(4-chlorophenyl)sulfanylacetate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2-(4-chlorophenyl)sulfanylacetate is O=C(COC(=O)CSc1ccc(Cl)cc1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 2-(4-chlorophenyl)sulfanylacetate?
The InChIKey is DLXAMUKNAXRHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3S/c17-12-6-8-14(9-7-12)22-11-16(20)21-10-15(19)18-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,19).
What are the key properties of (2-anilino-2-oxoethyl) 2-(4-chlorophenyl)sulfanylacetate?
(2-anilino-2-oxoethyl) 2-(4-chlorophenyl)sulfanylacetate has a molecular weight of 335.81 g/mol, XLogP of 3.61, 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-(4-chlorophenyl)sulfanylacetate is sourced from PubChem (CID 2524592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).