4-tert-butyl-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide

C28H33NO3S — CID 19211041

IUPAC4-tert-butyl-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
SMILESCCCCc1ccc(N(C(=O)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C28H33NO3S/c1-6-7-8-22-11-17-25(18-12-22)29(33(31,32)26-19-9-21(2)10-20-26)27(30)23-13-15-24(16-14-23)28(3,4)5/h9-20H,6-8H2,1-5H3
InChIKeyLIRNBTRDRVMVTQ-UHFFFAOYSA-N
MW463.64 g/mol
LogP6.67
Rot. Bonds7

About 4-tert-butyl-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide

4-tert-butyl-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide (PubChem CID 19211041) has the molecular formula C28H33NO3S and a molecular weight of 463.64 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
PubChem CID19211041
Molecular FormulaC28H33NO3S
Molecular Weight463.64 g/mol
Exact Mass463.22
IUPAC Name4-tert-butyl-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
SMILESCCCCc1ccc(N(C(=O)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C28H33NO3S/c1-6-7-8-22-11-17-25(18-12-22)29(33(31,32)26-19-9-21(2)10-20-26)27(30)23-13-15-24(16-14-23)28(3,4)5/h9-20H,6-8H2,1-5H3
InChIKeyLIRNBTRDRVMVTQ-UHFFFAOYSA-N
XLogP6.67
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.64
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 19210617
4-tert-butyl-N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 19211038
N-(4-butylphenyl)-4-methyl-N-(4-methylphenyl)sulfonyl-3-nitrobenzamide
CID 19211346
N-(4-butylphenyl)-2-methyl-N-(4-methylphenyl)sulfonylbenzamide
CID 19210939
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylpentanamide
CID 19210416
N-(benzenesulfonyl)-4-tert-butyl-N-(4-ethylphenyl)benzamide
CID 19211034
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylfuran-2-carboxamide
CID 19210446
N-(4-butylphenyl)-2-chloro-N-(4-methylphenyl)sulfonylbenzamide
CID 19210695
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide
CID 19210471
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(4-propylphenoxy)acetamide
CID 19212877
N-(4-butylphenyl)-N-(4-chlorophenyl)sulfonyl-4-methyl-3-nitrobenzamide
CID 19211347
1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane
CID 164906830

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide?
The IUPAC name of 4-tert-butyl-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide (CID 19211041) is 4-tert-butyl-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide.
What is the SMILES notation for 4-tert-butyl-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide?
The canonical SMILES for 4-tert-butyl-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide is CCCCc1ccc(N(C(=O)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide?
The InChIKey is LIRNBTRDRVMVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO3S/c1-6-7-8-22-11-17-25(18-12-22)29(33(31,32)26-19-9-21(2)10-20-26)27(30)23-13-15-24(16-14-23)28(3,4)5/h9-20H,6-8H2,1-5H3.
What are the key properties of 4-tert-butyl-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide?
4-tert-butyl-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide has a molecular weight of 463.64 g/mol, XLogP of 6.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide is sourced from PubChem (CID 19211041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).