N-(4-methylphenyl)sulfonyl-N'-[(E)-undec-6-en-5-yl]acetohydrazide

C20H32N2O3S — CID 135020359

IUPACN-(4-methylphenyl)sulfonyl-N'-[(E)-undec-6-en-5-yl]acetohydrazide
SMILESCCCC/C=C/C(CCCC)NN(C(C)=O)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H32N2O3S/c1-5-7-9-10-12-19(11-8-6-2)21-22(18(4)23)26(24,25)20-15-13-17(3)14-16-20/h10,12-16,19,21H,5-9,11H2,1-4H3/b12-10+
InChIKeyCWOAPBIQTWJWFC-ZRDIBKRKSA-N
MW380.55 g/mol
LogP4.34
Rot. Bonds11

About N-(4-methylphenyl)sulfonyl-N'-[(E)-undec-6-en-5-yl]acetohydrazide

N-(4-methylphenyl)sulfonyl-N'-[(E)-undec-6-en-5-yl]acetohydrazide (PubChem CID 135020359) has the molecular formula C20H32N2O3S and a molecular weight of 380.55 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonyl-N'-[(E)-undec-6-en-5-yl]acetohydrazide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonyl-N'-[(E)-undec-6-en-5-yl]acetohydrazide
PubChem CID135020359
Molecular FormulaC20H32N2O3S
Molecular Weight380.55 g/mol
Exact Mass380.21
IUPAC NameN-(4-methylphenyl)sulfonyl-N'-[(E)-undec-6-en-5-yl]acetohydrazide
SMILESCCCC/C=C/C(CCCC)NN(C(C)=O)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H32N2O3S/c1-5-7-9-10-12-19(11-8-6-2)21-22(18(4)23)26(24,25)20-15-13-17(3)14-16-20/h10,12-16,19,21H,5-9,11H2,1-4H3/b12-10+
InChIKeyCWOAPBIQTWJWFC-ZRDIBKRKSA-N
XLogP4.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
Pcmd-CC-mcm-23
CID 11834388
Hexanamide, 6-[[(4-methylphenyl)sulfonyl]amino]-
CID 2447482
N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide
CID 562881
N-(1-Hydrazinocarbonyl-2-phenyl-ethyl)-4-methyl-benzenesulfonamide
CID 3132811
(E)-N'-methyl-N'-(4-methylphenyl)sulfonyl-3-phenylprop-2-enehydrazide
CID 13634917
2-(p-Toluene sulfonyl)-L-glutamic acid hydrazide
CID 388354
4-Methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 16275079
N-Hydrazinocarbonylmethyl-4,N-dimethyl-benzenesulfonamide
CID 2302661
N(alpha)-Tosyl-L-lysinamide hydrobromide
CID 171384260
N-butanoyl-N'-(p-toluenesulfonyl)hydrazine
CID 229175
N-(4-methylphenyl)sulfonylacetohydrazide
CID 57152357

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonyl-N'-[(E)-undec-6-en-5-yl]acetohydrazide?
The IUPAC name of N-(4-methylphenyl)sulfonyl-N'-[(E)-undec-6-en-5-yl]acetohydrazide (CID 135020359) is N-(4-methylphenyl)sulfonyl-N'-[(E)-undec-6-en-5-yl]acetohydrazide.
What is the SMILES notation for N-(4-methylphenyl)sulfonyl-N'-[(E)-undec-6-en-5-yl]acetohydrazide?
The canonical SMILES for N-(4-methylphenyl)sulfonyl-N'-[(E)-undec-6-en-5-yl]acetohydrazide is CCCC/C=C/C(CCCC)NN(C(C)=O)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonyl-N'-[(E)-undec-6-en-5-yl]acetohydrazide?
The InChIKey is CWOAPBIQTWJWFC-ZRDIBKRKSA-N. The full InChI is InChI=1S/C20H32N2O3S/c1-5-7-9-10-12-19(11-8-6-2)21-22(18(4)23)26(24,25)20-15-13-17(3)14-16-20/h10,12-16,19,21H,5-9,11H2,1-4H3/b12-10+.
What are the key properties of N-(4-methylphenyl)sulfonyl-N'-[(E)-undec-6-en-5-yl]acetohydrazide?
N-(4-methylphenyl)sulfonyl-N'-[(E)-undec-6-en-5-yl]acetohydrazide has a molecular weight of 380.55 g/mol, XLogP of 4.34, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonyl-N'-[(E)-undec-6-en-5-yl]acetohydrazide is sourced from PubChem (CID 135020359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).