4-methyl-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide

C18H20N2O4S — CID 9476163

IUPAC4-methyl-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)CCS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N2O4S/c1-13-3-7-15(8-4-13)18(22)20-19-17(21)11-12-25(23,24)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyNRZMEAKKATUGMJ-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.93
Rot. Bonds5

About 4-methyl-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide

4-methyl-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide (PubChem CID 9476163) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 4-methyl-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide.

Molecular Properties

Compound Name4-methyl-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide
PubChem CID9476163
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name4-methyl-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)CCS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N2O4S/c1-13-3-7-15(8-4-13)18(22)20-19-17(21)11-12-25(23,24)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyNRZMEAKKATUGMJ-UHFFFAOYSA-N
XLogP1.93
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.93
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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Related Compounds

4-(diethylamino)-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide
CID 9156253
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 7168537
N-hydroxy-3-(4-methylphenyl)sulfonylpropanamide
CID 167574068
N'-[2-(2-methylphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide
CID 9469934
4-ethyl-N'-[4-[(4-methylphenyl)sulfonylmethyl]benzoyl]benzohydrazide
CID 78888892
N'-[2-(2-methoxyphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide
CID 9470869
N,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2093173
4-methyl-N'-octanoylbenzohydrazide
CID 4958769
N'-(2-bromoacetyl)-4-methylbenzohydrazide
CID 54560868
1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropan-1-one
CID 5225625
N'-[4-(difluoromethylsulfonyl)benzoyl]-4-methylbenzohydrazide
CID 8913372
4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]carbamoyl]benzenesulfonamide
CID 24642899

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide?
The IUPAC name of 4-methyl-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide (CID 9476163) is 4-methyl-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide.
What is the SMILES notation for 4-methyl-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide?
The canonical SMILES for 4-methyl-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide is Cc1ccc(C(=O)NNC(=O)CCS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide?
The InChIKey is NRZMEAKKATUGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-13-3-7-15(8-4-13)18(22)20-19-17(21)11-12-25(23,24)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 4-methyl-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide?
4-methyl-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide has a molecular weight of 360.44 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide is sourced from PubChem (CID 9476163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).