4-methyl-2-methylsulfonyl-N'-(naphthalen-2-ylmethyl)pentanehydrazide

C18H24N2O3S — CID 154449560

IUPAC4-methyl-2-methylsulfonyl-N'-(naphthalen-2-ylmethyl)pentanehydrazide
SMILESCC(C)CC(C(=O)NNCc1ccc2ccccc2c1)S(C)(=O)=O
InChIInChI=1S/C18H24N2O3S/c1-13(2)10-17(24(3,22)23)18(21)20-19-12-14-8-9-15-6-4-5-7-16(15)11-14/h4-9,11,13,17,19H,10,12H2,1-3H3,(H,20,21)
InChIKeyKSTHLXZRHSQSAP-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.42
Rot. Bonds7

About 4-methyl-2-methylsulfonyl-N'-(naphthalen-2-ylmethyl)pentanehydrazide

4-methyl-2-methylsulfonyl-N'-(naphthalen-2-ylmethyl)pentanehydrazide (PubChem CID 154449560) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 4-methyl-2-methylsulfonyl-N'-(naphthalen-2-ylmethyl)pentanehydrazide.

Molecular Properties

Compound Name4-methyl-2-methylsulfonyl-N'-(naphthalen-2-ylmethyl)pentanehydrazide
PubChem CID154449560
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name4-methyl-2-methylsulfonyl-N'-(naphthalen-2-ylmethyl)pentanehydrazide
SMILESCC(C)CC(C(=O)NNCc1ccc2ccccc2c1)S(C)(=O)=O
InChIInChI=1S/C18H24N2O3S/c1-13(2)10-17(24(3,22)23)18(21)20-19-12-14-8-9-15-6-4-5-7-16(15)11-14/h4-9,11,13,17,19H,10,12H2,1-3H3,(H,20,21)
InChIKeyKSTHLXZRHSQSAP-UHFFFAOYSA-N
XLogP2.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.42
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 4-methyl-2-methylsulfonyl-N'-(naphthalen-2-ylmethyl)pentanehydrazide?
The IUPAC name of 4-methyl-2-methylsulfonyl-N'-(naphthalen-2-ylmethyl)pentanehydrazide (CID 154449560) is 4-methyl-2-methylsulfonyl-N'-(naphthalen-2-ylmethyl)pentanehydrazide.
What is the SMILES notation for 4-methyl-2-methylsulfonyl-N'-(naphthalen-2-ylmethyl)pentanehydrazide?
The canonical SMILES for 4-methyl-2-methylsulfonyl-N'-(naphthalen-2-ylmethyl)pentanehydrazide is CC(C)CC(C(=O)NNCc1ccc2ccccc2c1)S(C)(=O)=O.
What is the InChIKey of 4-methyl-2-methylsulfonyl-N'-(naphthalen-2-ylmethyl)pentanehydrazide?
The InChIKey is KSTHLXZRHSQSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-13(2)10-17(24(3,22)23)18(21)20-19-12-14-8-9-15-6-4-5-7-16(15)11-14/h4-9,11,13,17,19H,10,12H2,1-3H3,(H,20,21).
What are the key properties of 4-methyl-2-methylsulfonyl-N'-(naphthalen-2-ylmethyl)pentanehydrazide?
4-methyl-2-methylsulfonyl-N'-(naphthalen-2-ylmethyl)pentanehydrazide has a molecular weight of 348.47 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfonyl-N'-(naphthalen-2-ylmethyl)pentanehydrazide is sourced from PubChem (CID 154449560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).