N'-(4-methylpent-3-en-2-yl)-N-(4-methylphenyl)sulfonylacetohydrazide

C15H22N2O3S — CID 135020403

IUPACN'-(4-methylpent-3-en-2-yl)-N-(4-methylphenyl)sulfonylacetohydrazide
SMILESCC(=O)N(NC(C)C=C(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H22N2O3S/c1-11(2)10-13(4)16-17(14(5)18)21(19,20)15-8-6-12(3)7-9-15/h6-10,13,16H,1-5H3
InChIKeyTUPBNEMLBCUGMD-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.39
Rot. Bonds5

About N'-(4-methylpent-3-en-2-yl)-N-(4-methylphenyl)sulfonylacetohydrazide

N'-(4-methylpent-3-en-2-yl)-N-(4-methylphenyl)sulfonylacetohydrazide (PubChem CID 135020403) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N'-(4-methylpent-3-en-2-yl)-N-(4-methylphenyl)sulfonylacetohydrazide.

Molecular Properties

Compound NameN'-(4-methylpent-3-en-2-yl)-N-(4-methylphenyl)sulfonylacetohydrazide
PubChem CID135020403
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN'-(4-methylpent-3-en-2-yl)-N-(4-methylphenyl)sulfonylacetohydrazide
SMILESCC(=O)N(NC(C)C=C(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H22N2O3S/c1-11(2)10-13(4)16-17(14(5)18)21(19,20)15-8-6-12(3)7-9-15/h6-10,13,16H,1-5H3
InChIKeyTUPBNEMLBCUGMD-UHFFFAOYSA-N
XLogP2.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-methylphenyl)sulfonyl]tetrahydro-3H-pyrazol-3-one
CID 1487856
p-Toluenesulfonamide, N-sec-butyl-
CID 211876
2-cyano-N'-[(4-methylphenyl)sulfonyl]acetohydrazide
CID 5035758
5-Amino-1-(4-methylphenylsulfonyl)-4-pyrazolin-3-one
CID 11834379
N-((4-Methylphenyl)sulfonyl)acetamide
CID 286222
Pcmd-CC-mcm-23
CID 11834388
Hexanamide, 6-[[(4-methylphenyl)sulfonyl]amino]-
CID 2447482
4-methyl-N-pentan-3-ylbenzenesulfonamide
CID 3819694
N-(2-aminopropyl)-4-methylbenzenesulfonamide
CID 16481884
N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide
CID 562881
(S)-N-2-aminopropyl-4-methylbenzenesulfonamide
CID 10857214
(E)-N'-methyl-N'-(4-methylphenyl)sulfonyl-3-phenylprop-2-enehydrazide
CID 13634917

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylpent-3-en-2-yl)-N-(4-methylphenyl)sulfonylacetohydrazide?
The IUPAC name of N'-(4-methylpent-3-en-2-yl)-N-(4-methylphenyl)sulfonylacetohydrazide (CID 135020403) is N'-(4-methylpent-3-en-2-yl)-N-(4-methylphenyl)sulfonylacetohydrazide.
What is the SMILES notation for N'-(4-methylpent-3-en-2-yl)-N-(4-methylphenyl)sulfonylacetohydrazide?
The canonical SMILES for N'-(4-methylpent-3-en-2-yl)-N-(4-methylphenyl)sulfonylacetohydrazide is CC(=O)N(NC(C)C=C(C)C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N'-(4-methylpent-3-en-2-yl)-N-(4-methylphenyl)sulfonylacetohydrazide?
The InChIKey is TUPBNEMLBCUGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11(2)10-13(4)16-17(14(5)18)21(19,20)15-8-6-12(3)7-9-15/h6-10,13,16H,1-5H3.
What are the key properties of N'-(4-methylpent-3-en-2-yl)-N-(4-methylphenyl)sulfonylacetohydrazide?
N'-(4-methylpent-3-en-2-yl)-N-(4-methylphenyl)sulfonylacetohydrazide has a molecular weight of 310.42 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylpent-3-en-2-yl)-N-(4-methylphenyl)sulfonylacetohydrazide is sourced from PubChem (CID 135020403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).