N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-phenylethyl]benzenesulfonamide

C25H29N3O3S — CID 4855525

IUPACN-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-phenylethyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(C(=O)NNC(CNS(=O)(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H29N3O3S/c1-25(2,3)21-16-14-20(15-17-21)24(29)28-27-23(19-10-6-4-7-11-19)18-26-32(30,31)22-12-8-5-9-13-22/h4-17,23,26-27H,18H2,1-3H3,(H,28,29)
InChIKeyVFXDYUQZVMYOIV-UHFFFAOYSA-N
MW451.59 g/mol
LogP3.94
Rot. Bonds8

About N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-phenylethyl]benzenesulfonamide

N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-phenylethyl]benzenesulfonamide (PubChem CID 4855525) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-phenylethyl]benzenesulfonamide
PubChem CID4855525
Molecular FormulaC25H29N3O3S
Molecular Weight451.59 g/mol
Exact Mass451.19
IUPAC NameN-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-phenylethyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(C(=O)NNC(CNS(=O)(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H29N3O3S/c1-25(2,3)21-16-14-20(15-17-21)24(29)28-27-23(19-10-6-4-7-11-19)18-26-32(30,31)22-12-8-5-9-13-22/h4-17,23,26-27H,18H2,1-3H3,(H,28,29)
InChIKeyVFXDYUQZVMYOIV-UHFFFAOYSA-N
XLogP3.94
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-tert-butylphenyl)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 163217184
N-[(2S)-2-(benzhydrylamino)-2-phenylethyl]benzenesulfonamide
CID 1230083
N'-[(1S)-1,2-diphenylethyl]benzohydrazide
CID 14923144
N-(4-tert-butylphenyl)-3-(2-methylpropylsulfamoyl)benzamide
CID 109062723
4-tert-butyl-N'-(2,2-diphenylacetyl)benzohydrazide
CID 3260570
N-[2-[2-[(4-tert-butylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
CID 108571276
3-[(4-tert-butylphenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936753
methyl 3-[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]-3-phenylpropanoate
CID 24554440
4-[[2-(dimethylamino)-2-phenylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 78786572
methyl 3-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoate
CID 46637564
N'-[(1S)-3-(4-fluorophenyl)-3-oxo-1-phenylpropyl]benzohydrazide
CID 53355842
4-tert-butyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3595428

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-phenylethyl]benzenesulfonamide?
The IUPAC name of N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-phenylethyl]benzenesulfonamide (CID 4855525) is N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-phenylethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-phenylethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-phenylethyl]benzenesulfonamide is CC(C)(C)c1ccc(C(=O)NNC(CNS(=O)(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-phenylethyl]benzenesulfonamide?
The InChIKey is VFXDYUQZVMYOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S/c1-25(2,3)21-16-14-20(15-17-21)24(29)28-27-23(19-10-6-4-7-11-19)18-26-32(30,31)22-12-8-5-9-13-22/h4-17,23,26-27H,18H2,1-3H3,(H,28,29).
What are the key properties of N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-phenylethyl]benzenesulfonamide?
N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-phenylethyl]benzenesulfonamide has a molecular weight of 451.59 g/mol, XLogP of 3.94, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 4855525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).