2-[2-oxo-2-[2-(phenylcarbamoyl)hydrazinyl]ethyl]sulfanyl-N-phenylacetamide

C17H18N4O3S — CID 2822662

IUPAC2-[2-oxo-2-[2-(phenylcarbamoyl)hydrazinyl]ethyl]sulfanyl-N-phenylacetamide
SMILESO=C(CSCC(=O)Nc1ccccc1)NNC(=O)Nc1ccccc1
InChIInChI=1S/C17H18N4O3S/c22-15(18-13-7-3-1-4-8-13)11-25-12-16(23)20-21-17(24)19-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,22)(H,20,23)(H2,19,21,24)
InChIKeyDEUHPQNQTKRFKL-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.21
Rot. Bonds6

About 2-[2-oxo-2-[2-(phenylcarbamoyl)hydrazinyl]ethyl]sulfanyl-N-phenylacetamide

2-[2-oxo-2-[2-(phenylcarbamoyl)hydrazinyl]ethyl]sulfanyl-N-phenylacetamide (PubChem CID 2822662) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-[2-oxo-2-[2-(phenylcarbamoyl)hydrazinyl]ethyl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-oxo-2-[2-(phenylcarbamoyl)hydrazinyl]ethyl]sulfanyl-N-phenylacetamide
PubChem CID2822662
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name2-[2-oxo-2-[2-(phenylcarbamoyl)hydrazinyl]ethyl]sulfanyl-N-phenylacetamide
SMILESO=C(CSCC(=O)Nc1ccccc1)NNC(=O)Nc1ccccc1
InChIInChI=1S/C17H18N4O3S/c22-15(18-13-7-3-1-4-8-13)11-25-12-16(23)20-21-17(24)19-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,22)(H,20,23)(H2,19,21,24)
InChIKeyDEUHPQNQTKRFKL-UHFFFAOYSA-N
XLogP2.21
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[2-(phenylcarbamoyl)hydrazinyl]ethyl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[2-oxo-2-[2-(phenylcarbamoyl)hydrazinyl]ethyl]sulfanyl-N-phenylacetamide (CID 2822662) is 2-[2-oxo-2-[2-(phenylcarbamoyl)hydrazinyl]ethyl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-oxo-2-[2-(phenylcarbamoyl)hydrazinyl]ethyl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[2-oxo-2-[2-(phenylcarbamoyl)hydrazinyl]ethyl]sulfanyl-N-phenylacetamide is O=C(CSCC(=O)Nc1ccccc1)NNC(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-oxo-2-[2-(phenylcarbamoyl)hydrazinyl]ethyl]sulfanyl-N-phenylacetamide?
The InChIKey is DEUHPQNQTKRFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c22-15(18-13-7-3-1-4-8-13)11-25-12-16(23)20-21-17(24)19-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,22)(H,20,23)(H2,19,21,24).
What are the key properties of 2-[2-oxo-2-[2-(phenylcarbamoyl)hydrazinyl]ethyl]sulfanyl-N-phenylacetamide?
2-[2-oxo-2-[2-(phenylcarbamoyl)hydrazinyl]ethyl]sulfanyl-N-phenylacetamide has a molecular weight of 358.42 g/mol, XLogP of 2.21, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[2-(phenylcarbamoyl)hydrazinyl]ethyl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 2822662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).