N'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]-5-methylpyrazine-2-carbohydrazide

C20H17ClN4O2S — CID 43002203

IUPACN'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]-5-methylpyrazine-2-carbohydrazide
SMILESCc1cnc(C(=O)NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cn1
InChIInChI=1S/C20H17ClN4O2S/c1-13-10-23-18(11-22-13)20(27)25-24-19(26)15-4-2-14(3-5-15)12-28-17-8-6-16(21)7-9-17/h2-11H,12H2,1H3,(H,24,26)(H,25,27)
InChIKeyPTMUPCWAZLHIFL-UHFFFAOYSA-N
MW412.90 g/mol
LogP3.81
Rot. Bonds5

About N'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]-5-methylpyrazine-2-carbohydrazide

N'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]-5-methylpyrazine-2-carbohydrazide (PubChem CID 43002203) has the molecular formula C20H17ClN4O2S and a molecular weight of 412.90 g/mol. Its IUPAC name is N'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]-5-methylpyrazine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]-5-methylpyrazine-2-carbohydrazide
PubChem CID43002203
Molecular FormulaC20H17ClN4O2S
Molecular Weight412.90 g/mol
Exact Mass412.08
IUPAC NameN'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]-5-methylpyrazine-2-carbohydrazide
SMILESCc1cnc(C(=O)NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cn1
InChIInChI=1S/C20H17ClN4O2S/c1-13-10-23-18(11-22-13)20(27)25-24-19(26)15-4-2-14(3-5-15)12-28-17-8-6-16(21)7-9-17/h2-11H,12H2,1H3,(H,24,26)(H,25,27)
InChIKeyPTMUPCWAZLHIFL-UHFFFAOYSA-N
XLogP3.81
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]-5-methylpyrazine-2-carbohydrazide with MolForge

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

Launch Full Analysis

Related Compounds

N'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]pyridine-2-carbohydrazide
CID 24537705
N-[4-[[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]carbamoyl]-1,3-thiazol-2-yl]acetamide
CID 43070192
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2645874
N-tert-butyl-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 7987976
4-[(4-chlorophenyl)sulfanylmethyl]-N-propan-2-ylbenzamide
CID 27648094
1-[5-[(4-chlorophenyl)methylsulfanyl]-2-pyridinyl]ethanone
CID 114790551
5-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazine-2-carboxamide
CID 24644970
N'-[2-(2-chlorophenoxy)acetyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzohydrazide
CID 16546809
N'-[2-(4-chlorophenoxy)acetyl]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzohydrazide
CID 24535782
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 7948805
5-chloro-N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 46543804
N-(2-amino-2-methylpropyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 119628946

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]-5-methylpyrazine-2-carbohydrazide?
The IUPAC name of N'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]-5-methylpyrazine-2-carbohydrazide (CID 43002203) is N'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]-5-methylpyrazine-2-carbohydrazide.
What is the SMILES notation for N'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]-5-methylpyrazine-2-carbohydrazide?
The canonical SMILES for N'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]-5-methylpyrazine-2-carbohydrazide is Cc1cnc(C(=O)NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cn1.
What is the InChIKey of N'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]-5-methylpyrazine-2-carbohydrazide?
The InChIKey is PTMUPCWAZLHIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2S/c1-13-10-23-18(11-22-13)20(27)25-24-19(26)15-4-2-14(3-5-15)12-28-17-8-6-16(21)7-9-17/h2-11H,12H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]-5-methylpyrazine-2-carbohydrazide?
N'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]-5-methylpyrazine-2-carbohydrazide has a molecular weight of 412.90 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]-5-methylpyrazine-2-carbohydrazide is sourced from PubChem (CID 43002203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).