2-[2-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide

C17H17ClN4O3S — CID 2822663

IUPAC2-[2-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide
SMILESO=C(CSCC(=O)Nc1ccccc1)NNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN4O3S/c18-12-6-8-14(9-7-12)20-17(25)22-21-16(24)11-26-10-15(23)19-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,19,23)(H,21,24)(H2,20,22,25)
InChIKeyHMTSGQLTJZRPDG-UHFFFAOYSA-N
MW392.87 g/mol
LogP2.86
Rot. Bonds6

About 2-[2-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide

2-[2-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide (PubChem CID 2822663) has the molecular formula C17H17ClN4O3S and a molecular weight of 392.87 g/mol. Its IUPAC name is 2-[2-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide
PubChem CID2822663
Molecular FormulaC17H17ClN4O3S
Molecular Weight392.87 g/mol
Exact Mass392.07
IUPAC Name2-[2-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide
SMILESO=C(CSCC(=O)Nc1ccccc1)NNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN4O3S/c18-12-6-8-14(9-7-12)20-17(25)22-21-16(24)11-26-10-15(23)19-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,19,23)(H,21,24)(H2,20,22,25)
InChIKeyHMTSGQLTJZRPDG-UHFFFAOYSA-N
XLogP2.86
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.87
LogP ≤ 52.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[2-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide (CID 2822663) is 2-[2-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[2-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide is O=C(CSCC(=O)Nc1ccccc1)NNC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide?
The InChIKey is HMTSGQLTJZRPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3S/c18-12-6-8-14(9-7-12)20-17(25)22-21-16(24)11-26-10-15(23)19-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,19,23)(H,21,24)(H2,20,22,25).
What are the key properties of 2-[2-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide?
2-[2-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide has a molecular weight of 392.87 g/mol, XLogP of 2.86, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 2822663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).