N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-propan-2-ylsulfanylbenzohydrazide

C18H19ClN2O2S2 — CID 78778091

IUPACN'-[2-(4-chlorophenyl)sulfanylacetyl]-2-propan-2-ylsulfanylbenzohydrazide
SMILESCC(C)Sc1ccccc1C(=O)NNC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O2S2/c1-12(2)25-16-6-4-3-5-15(16)18(23)21-20-17(22)11-24-14-9-7-13(19)8-10-14/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyNEQMFBMYXBLIAO-UHFFFAOYSA-N
MW394.95 g/mol
LogP4.39
Rot. Bonds6

About N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-propan-2-ylsulfanylbenzohydrazide

N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-propan-2-ylsulfanylbenzohydrazide (PubChem CID 78778091) has the molecular formula C18H19ClN2O2S2 and a molecular weight of 394.95 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-propan-2-ylsulfanylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)sulfanylacetyl]-2-propan-2-ylsulfanylbenzohydrazide
PubChem CID78778091
Molecular FormulaC18H19ClN2O2S2
Molecular Weight394.95 g/mol
Exact Mass394.06
IUPAC NameN'-[2-(4-chlorophenyl)sulfanylacetyl]-2-propan-2-ylsulfanylbenzohydrazide
SMILESCC(C)Sc1ccccc1C(=O)NNC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O2S2/c1-12(2)25-16-6-4-3-5-15(16)18(23)21-20-17(22)11-24-14-9-7-13(19)8-10-14/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyNEQMFBMYXBLIAO-UHFFFAOYSA-N
XLogP4.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.95
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-propan-2-ylsulfanylbenzohydrazide 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'-[2-(4-chlorophenyl)sulfanylacetyl]-2-hydroxybenzohydrazide
CID 35515360
N'-(2-chlorobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide
CID 51148209
N'-[2-(4-tert-butylphenyl)sulfanylacetyl]-2-chlorobenzohydrazide
CID 35930229
N-(4-chlorophenyl)-2-propan-2-ylsulfanylbenzamide
CID 17224527
N'-[2-(4-chlorophenyl)sulfanylacetyl]-1-methyl-2-oxoquinoline-4-carbohydrazide
CID 55787862
2-chloro-N-[1-[2-[2-(4-methylphenyl)sulfanylacetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 18285174
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-phenylmethoxypropanehydrazide
CID 55647951
4-chloro-N'-[2-(2-methylphenyl)sulfanylacetyl]benzohydrazide
CID 7780155
2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 802169
5-chloro-2-fluoro-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
CID 9091331
2-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
CID 35929032
4-chloro-N'-[2-(4-methoxyphenyl)sulfanylacetyl]benzohydrazide
CID 26649394

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-propan-2-ylsulfanylbenzohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-propan-2-ylsulfanylbenzohydrazide (CID 78778091) is N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-propan-2-ylsulfanylbenzohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-propan-2-ylsulfanylbenzohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-propan-2-ylsulfanylbenzohydrazide is CC(C)Sc1ccccc1C(=O)NNC(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-propan-2-ylsulfanylbenzohydrazide?
The InChIKey is NEQMFBMYXBLIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2S2/c1-12(2)25-16-6-4-3-5-15(16)18(23)21-20-17(22)11-24-14-9-7-13(19)8-10-14/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-propan-2-ylsulfanylbenzohydrazide?
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-propan-2-ylsulfanylbenzohydrazide has a molecular weight of 394.95 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-propan-2-ylsulfanylbenzohydrazide is sourced from PubChem (CID 78778091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).