2-chloro-N-[1-[2-(2-hydroxybenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

C19H20ClN3O4S — CID 18231388

IUPAC2-chloro-N-[1-[2-(2-hydroxybenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
SMILESCSCCC(NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1ccccc1O
InChIInChI=1S/C19H20ClN3O4S/c1-28-11-10-15(21-17(25)12-6-2-4-8-14(12)20)19(27)23-22-18(26)13-7-3-5-9-16(13)24/h2-9,15,24H,10-11H2,1H3,(H,21,25)(H,22,26)(H,23,27)
InChIKeyCWZSWBLAVUDINH-UHFFFAOYSA-N
MW421.91 g/mol
LogP2.36
Rot. Bonds7

About 2-chloro-N-[1-[2-(2-hydroxybenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

2-chloro-N-[1-[2-(2-hydroxybenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (PubChem CID 18231388) has the molecular formula C19H20ClN3O4S and a molecular weight of 421.91 g/mol. Its IUPAC name is 2-chloro-N-[1-[2-(2-hydroxybenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[2-(2-hydroxybenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
PubChem CID18231388
Molecular FormulaC19H20ClN3O4S
Molecular Weight421.91 g/mol
Exact Mass421.09
IUPAC Name2-chloro-N-[1-[2-(2-hydroxybenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
SMILESCSCCC(NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1ccccc1O
InChIInChI=1S/C19H20ClN3O4S/c1-28-11-10-15(21-17(25)12-6-2-4-8-14(12)20)19(27)23-22-18(26)13-7-3-5-9-16(13)24/h2-9,15,24H,10-11H2,1H3,(H,21,25)(H,22,26)(H,23,27)
InChIKeyCWZSWBLAVUDINH-UHFFFAOYSA-N
XLogP2.36
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.91
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[1-[2-(2-hydroxybenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide 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-chloro-N-[1-[2-(2-hydroxybenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[2-(2-hydroxybenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (CID 18231388) is 2-chloro-N-[1-[2-(2-hydroxybenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[2-(2-hydroxybenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[2-(2-hydroxybenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is CSCCC(NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1ccccc1O.
What is the InChIKey of 2-chloro-N-[1-[2-(2-hydroxybenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The InChIKey is CWZSWBLAVUDINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4S/c1-28-11-10-15(21-17(25)12-6-2-4-8-14(12)20)19(27)23-22-18(26)13-7-3-5-9-16(13)24/h2-9,15,24H,10-11H2,1H3,(H,21,25)(H,22,26)(H,23,27).
What are the key properties of 2-chloro-N-[1-[2-(2-hydroxybenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
2-chloro-N-[1-[2-(2-hydroxybenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide has a molecular weight of 421.91 g/mol, XLogP of 2.36, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[2-(2-hydroxybenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 18231388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).