N'-[4-(1,3-dithian-2-yl)benzoyl]-2,4-dimethylbenzohydrazide

C20H22N2O2S2 — CID 9276788

IUPACN'-[4-(1,3-dithian-2-yl)benzoyl]-2,4-dimethylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccc(C3SCCCS3)cc2)c(C)c1
InChIInChI=1S/C20H22N2O2S2/c1-13-4-9-17(14(2)12-13)19(24)22-21-18(23)15-5-7-16(8-6-15)20-25-10-3-11-26-20/h4-9,12,20H,3,10-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeySGQYPBZBTBXALC-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.25
Rot. Bonds3

About N'-[4-(1,3-dithian-2-yl)benzoyl]-2,4-dimethylbenzohydrazide

N'-[4-(1,3-dithian-2-yl)benzoyl]-2,4-dimethylbenzohydrazide (PubChem CID 9276788) has the molecular formula C20H22N2O2S2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N'-[4-(1,3-dithian-2-yl)benzoyl]-2,4-dimethylbenzohydrazide.

Molecular Properties

Compound NameN'-[4-(1,3-dithian-2-yl)benzoyl]-2,4-dimethylbenzohydrazide
PubChem CID9276788
Molecular FormulaC20H22N2O2S2
Molecular Weight386.54 g/mol
Exact Mass386.11
IUPAC NameN'-[4-(1,3-dithian-2-yl)benzoyl]-2,4-dimethylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccc(C3SCCCS3)cc2)c(C)c1
InChIInChI=1S/C20H22N2O2S2/c1-13-4-9-17(14(2)12-13)19(24)22-21-18(23)15-5-7-16(8-6-15)20-25-10-3-11-26-20/h4-9,12,20H,3,10-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeySGQYPBZBTBXALC-UHFFFAOYSA-N
XLogP4.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.25
H-Bond Donors ≤ 52
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 N'-[4-(1,3-dithian-2-yl)benzoyl]-2,4-dimethylbenzohydrazide?
The IUPAC name of N'-[4-(1,3-dithian-2-yl)benzoyl]-2,4-dimethylbenzohydrazide (CID 9276788) is N'-[4-(1,3-dithian-2-yl)benzoyl]-2,4-dimethylbenzohydrazide.
What is the SMILES notation for N'-[4-(1,3-dithian-2-yl)benzoyl]-2,4-dimethylbenzohydrazide?
The canonical SMILES for N'-[4-(1,3-dithian-2-yl)benzoyl]-2,4-dimethylbenzohydrazide is Cc1ccc(C(=O)NNC(=O)c2ccc(C3SCCCS3)cc2)c(C)c1.
What is the InChIKey of N'-[4-(1,3-dithian-2-yl)benzoyl]-2,4-dimethylbenzohydrazide?
The InChIKey is SGQYPBZBTBXALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S2/c1-13-4-9-17(14(2)12-13)19(24)22-21-18(23)15-5-7-16(8-6-15)20-25-10-3-11-26-20/h4-9,12,20H,3,10-11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-[4-(1,3-dithian-2-yl)benzoyl]-2,4-dimethylbenzohydrazide?
N'-[4-(1,3-dithian-2-yl)benzoyl]-2,4-dimethylbenzohydrazide has a molecular weight of 386.54 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(1,3-dithian-2-yl)benzoyl]-2,4-dimethylbenzohydrazide is sourced from PubChem (CID 9276788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).