N'-[4-(diethylamino)benzoyl]-4-(methylsulfonylmethyl)benzohydrazide

C20H25N3O4S — CID 9155961

IUPACN'-[4-(diethylamino)benzoyl]-4-(methylsulfonylmethyl)benzohydrazide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-4-23(5-2)18-12-10-17(11-13-18)20(25)22-21-19(24)16-8-6-15(7-9-16)14-28(3,26)27/h6-13H,4-5,14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyAHGSUESRVDVVDN-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.15
Rot. Bonds7

About N'-[4-(diethylamino)benzoyl]-4-(methylsulfonylmethyl)benzohydrazide

N'-[4-(diethylamino)benzoyl]-4-(methylsulfonylmethyl)benzohydrazide (PubChem CID 9155961) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N'-[4-(diethylamino)benzoyl]-4-(methylsulfonylmethyl)benzohydrazide.

Molecular Properties

Compound NameN'-[4-(diethylamino)benzoyl]-4-(methylsulfonylmethyl)benzohydrazide
PubChem CID9155961
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN'-[4-(diethylamino)benzoyl]-4-(methylsulfonylmethyl)benzohydrazide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-4-23(5-2)18-12-10-17(11-13-18)20(25)22-21-19(24)16-8-6-15(7-9-16)14-28(3,26)27/h6-13H,4-5,14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyAHGSUESRVDVVDN-UHFFFAOYSA-N
XLogP2.15
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chlorobenzoyl)-4-(methylsulfonylmethyl)benzohydrazide
CID 9442397
methyl 4-[[[4-(diethylamino)benzoyl]amino]carbamoyl]benzoate
CID 9156446
N'-[2-(4-bromophenyl)acetyl]-4-(diethylamino)benzohydrazide
CID 9156474
N-[5-[[[4-(diethylamino)benzoyl]amino]carbamoyl]-2-methylphenyl]methanesulfonamide
CID 39982550
2,5-dimethyl-N'-[4-(methylsulfonylmethyl)benzoyl]furan-3-carbohydrazide
CID 9468106
N'-[4-(diethylamino)benzoyl]-1-methylsulfonylpiperidine-4-carbohydrazide
CID 25379649
N'-[4-(diethylamino)benzoyl]-6-methylpyridine-3-carbohydrazide
CID 30288485
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(methylsulfonylmethyl)benzamide
CID 8948215
4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 27648016
4-(methylsulfonylmethyl)-N-prop-2-enylbenzamide
CID 9442194
4-(diethylamino)-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide
CID 9156253
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(methylsulfonylmethyl)benzamide
CID 103890885

Frequently Asked Questions

What is the IUPAC name of N'-[4-(diethylamino)benzoyl]-4-(methylsulfonylmethyl)benzohydrazide?
The IUPAC name of N'-[4-(diethylamino)benzoyl]-4-(methylsulfonylmethyl)benzohydrazide (CID 9155961) is N'-[4-(diethylamino)benzoyl]-4-(methylsulfonylmethyl)benzohydrazide.
What is the SMILES notation for N'-[4-(diethylamino)benzoyl]-4-(methylsulfonylmethyl)benzohydrazide?
The canonical SMILES for N'-[4-(diethylamino)benzoyl]-4-(methylsulfonylmethyl)benzohydrazide is CCN(CC)c1ccc(C(=O)NNC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1.
What is the InChIKey of N'-[4-(diethylamino)benzoyl]-4-(methylsulfonylmethyl)benzohydrazide?
The InChIKey is AHGSUESRVDVVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-4-23(5-2)18-12-10-17(11-13-18)20(25)22-21-19(24)16-8-6-15(7-9-16)14-28(3,26)27/h6-13H,4-5,14H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N'-[4-(diethylamino)benzoyl]-4-(methylsulfonylmethyl)benzohydrazide?
N'-[4-(diethylamino)benzoyl]-4-(methylsulfonylmethyl)benzohydrazide has a molecular weight of 403.50 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(diethylamino)benzoyl]-4-(methylsulfonylmethyl)benzohydrazide is sourced from PubChem (CID 9155961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).