4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]phenyl]methyl]benzamide

C23H32N2O3S — CID 58145312

IUPAC4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]phenyl]methyl]benzamide
SMILESCCCCc1ccc(C(=O)NCc2ccc(CNS(=O)(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H32N2O3S/c1-5-6-7-18-12-14-21(15-13-18)22(26)24-16-19-8-10-20(11-9-19)17-25-29(27,28)23(2,3)4/h8-15,25H,5-7,16-17H2,1-4H3,(H,24,26)
InChIKeyVALXXAMFSCQFBX-UHFFFAOYSA-N
MW416.59 g/mol
LogP4.18
Rot. Bonds9

About 4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]phenyl]methyl]benzamide

4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]phenyl]methyl]benzamide (PubChem CID 58145312) has the molecular formula C23H32N2O3S and a molecular weight of 416.59 g/mol. Its IUPAC name is 4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]phenyl]methyl]benzamide
PubChem CID58145312
Molecular FormulaC23H32N2O3S
Molecular Weight416.59 g/mol
Exact Mass416.21
IUPAC Name4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]phenyl]methyl]benzamide
SMILESCCCCc1ccc(C(=O)NCc2ccc(CNS(=O)(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H32N2O3S/c1-5-6-7-18-12-14-21(15-13-18)22(26)24-16-19-8-10-20(11-9-19)17-25-29(27,28)23(2,3)4/h8-15,25H,5-7,16-17H2,1-4H3,(H,24,26)
InChIKeyVALXXAMFSCQFBX-UHFFFAOYSA-N
XLogP4.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]phenyl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-butylphenyl)methyl]-1-methylpyridin-1-ium-4-carboxamide
CID 123663391
4-butyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60735788
N-(4-butylphenyl)-5-(tert-butylsulfonylamino)pentanethioamide
CID 20630491
(4-butylphenyl)methylcarbamic acid
CID 22507604
N-[(4-butylphenyl)methyl]methanesulfonamide
CID 22246914
4-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 115968785
N-[4-(4-butylanilino)butyl]-2-methylpropane-2-sulfonamide
CID 70938800
4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115577854
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443
4-[[[2-(4-butylphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 46422120
4-butyl-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide
CID 106251909
4-[[(4-hexylphenyl)sulfonylamino]methyl]benzoic acid
CID 84556982

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]phenyl]methyl]benzamide?
The IUPAC name of 4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]phenyl]methyl]benzamide (CID 58145312) is 4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]phenyl]methyl]benzamide?
The canonical SMILES for 4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]phenyl]methyl]benzamide is CCCCc1ccc(C(=O)NCc2ccc(CNS(=O)(=O)C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]phenyl]methyl]benzamide?
The InChIKey is VALXXAMFSCQFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3S/c1-5-6-7-18-12-14-21(15-13-18)22(26)24-16-19-8-10-20(11-9-19)17-25-29(27,28)23(2,3)4/h8-15,25H,5-7,16-17H2,1-4H3,(H,24,26).
What are the key properties of 4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]phenyl]methyl]benzamide?
4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]phenyl]methyl]benzamide has a molecular weight of 416.59 g/mol, XLogP of 4.18, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 58145312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).