2-(2-anilino-2-oxoethyl)sulfanylacetic acid

C10H11NO3S — CID 737673

IUPAC2-(2-anilino-2-oxoethyl)sulfanylacetic acid
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)
InChIKeyABHZTPDZBMDHPI-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.44
Rot. Bonds5

About 2-(2-anilino-2-oxoethyl)sulfanylacetic acid

2-(2-anilino-2-oxoethyl)sulfanylacetic acid (PubChem CID 737673) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-(2-anilino-2-oxoethyl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(2-anilino-2-oxoethyl)sulfanylacetic acid
PubChem CID737673
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name2-(2-anilino-2-oxoethyl)sulfanylacetic acid
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)
InChIKeyABHZTPDZBMDHPI-UHFFFAOYSA-N
XLogP1.44
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-anilino-2-oxoethyl)sulfanylacetic acid?
The IUPAC name of 2-(2-anilino-2-oxoethyl)sulfanylacetic acid (CID 737673) is 2-(2-anilino-2-oxoethyl)sulfanylacetic acid.
What is the SMILES notation for 2-(2-anilino-2-oxoethyl)sulfanylacetic acid?
The canonical SMILES for 2-(2-anilino-2-oxoethyl)sulfanylacetic acid is O=C(O)CSCC(=O)Nc1ccccc1.
What is the InChIKey of 2-(2-anilino-2-oxoethyl)sulfanylacetic acid?
The InChIKey is ABHZTPDZBMDHPI-UHFFFAOYSA-N. 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).
What are the key properties of 2-(2-anilino-2-oxoethyl)sulfanylacetic acid?
2-(2-anilino-2-oxoethyl)sulfanylacetic acid has a molecular weight of 225.27 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilino-2-oxoethyl)sulfanylacetic acid is sourced from PubChem (CID 737673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).