2-(2-anilino-2-oxoethyl)sulfanylacetate

C10H10NO3S- — CID 5216476

IUPAC2-(2-anilino-2-oxoethyl)sulfanylacetate
SMILESO=C([O-])CSCC(=O)Nc1ccccc1
InChIInChI=1S/C10H11NO3S/c12-9(6-15-7-10(13)14)11-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)/p-1
InChIKeyABHZTPDZBMDHPI-UHFFFAOYSA-M
MW224.26 g/mol
LogP0.11
Rot. Bonds5

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

2-(2-anilino-2-oxoethyl)sulfanylacetate (PubChem CID 5216476) has the molecular formula C10H10NO3S- and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(2-anilino-2-oxoethyl)sulfanylacetate.

Molecular Properties

Compound Name2-(2-anilino-2-oxoethyl)sulfanylacetate
PubChem CID5216476
Molecular FormulaC10H10NO3S-
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name2-(2-anilino-2-oxoethyl)sulfanylacetate
SMILESO=C([O-])CSCC(=O)Nc1ccccc1
InChIInChI=1S/C10H11NO3S/c12-9(6-15-7-10(13)14)11-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)/p-1
InChIKeyABHZTPDZBMDHPI-UHFFFAOYSA-M
XLogP0.11
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 6969899
2-phenacylsulfanyl-N-phenylacetamide
CID 569693
2-benzylsulfanyl-N-phenylacetamide
CID 584914
3-[[2-(2-anilino-2-oxoethyl)sulfanylacetyl]amino]propanoic acid
CID 82032731
2-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]sulfanylacetate
CID 6930186
4-[(2-anilino-2-oxoethyl)sulfanylmethyl]benzoate
CID 5012492
2-[2-(benzylamino)-2-oxoethyl]sulfanylacetate
CID 7020290
2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylacetate
CID 6952062
2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-N-phenylacetamide
CID 9145917
2-(2-anilino-2-oxoethyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 7574875
N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide
CID 8880850
2-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 7747387

Frequently Asked Questions

What is the IUPAC name of 2-(2-anilino-2-oxoethyl)sulfanylacetate?
The IUPAC name of 2-(2-anilino-2-oxoethyl)sulfanylacetate (CID 5216476) is 2-(2-anilino-2-oxoethyl)sulfanylacetate.
What is the SMILES notation for 2-(2-anilino-2-oxoethyl)sulfanylacetate?
The canonical SMILES for 2-(2-anilino-2-oxoethyl)sulfanylacetate is O=C([O-])CSCC(=O)Nc1ccccc1.
What is the InChIKey of 2-(2-anilino-2-oxoethyl)sulfanylacetate?
The InChIKey is ABHZTPDZBMDHPI-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11NO3S/c12-9(6-15-7-10(13)14)11-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)/p-1.
What are the key properties of 2-(2-anilino-2-oxoethyl)sulfanylacetate?
2-(2-anilino-2-oxoethyl)sulfanylacetate has a molecular weight of 224.26 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilino-2-oxoethyl)sulfanylacetate is sourced from PubChem (CID 5216476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).