N-(benzenesulfonyl)-4-tert-butyl-N-(4-ethylphenyl)benzamide

C25H27NO3S — CID 19211034

IUPACN-(benzenesulfonyl)-4-tert-butyl-N-(4-ethylphenyl)benzamide
SMILESCCc1ccc(N(C(=O)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H27NO3S/c1-5-19-11-17-22(18-12-19)26(30(28,29)23-9-7-6-8-10-23)24(27)20-13-15-21(16-14-20)25(2,3)4/h6-18H,5H2,1-4H3
InChIKeySWDQAILDBFIXOL-UHFFFAOYSA-N
MW421.56 g/mol
LogP5.58
Rot. Bonds5

About N-(benzenesulfonyl)-4-tert-butyl-N-(4-ethylphenyl)benzamide

N-(benzenesulfonyl)-4-tert-butyl-N-(4-ethylphenyl)benzamide (PubChem CID 19211034) has the molecular formula C25H27NO3S and a molecular weight of 421.56 g/mol. Its IUPAC name is N-(benzenesulfonyl)-4-tert-butyl-N-(4-ethylphenyl)benzamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-4-tert-butyl-N-(4-ethylphenyl)benzamide
PubChem CID19211034
Molecular FormulaC25H27NO3S
Molecular Weight421.56 g/mol
Exact Mass421.17
IUPAC NameN-(benzenesulfonyl)-4-tert-butyl-N-(4-ethylphenyl)benzamide
SMILESCCc1ccc(N(C(=O)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H27NO3S/c1-5-19-11-17-22(18-12-19)26(30(28,29)23-9-7-6-8-10-23)24(27)20-13-15-21(16-14-20)25(2,3)4/h6-18H,5H2,1-4H3
InChIKeySWDQAILDBFIXOL-UHFFFAOYSA-N
XLogP5.58
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.56
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(benzenesulfonyl)-4-bromo-N-(4-ethylphenyl)benzamide
CID 19210712
N-(benzenesulfonyl)-N-(4-ethylphenyl)-4-nitrobenzamide
CID 19210767
4-tert-butyl-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 19211041
N-(benzenesulfonyl)-4-(4-tert-butylphenoxy)-N-(4-ethylphenyl)butanamide
CID 19218787
N-(benzenesulfonyl)-N-(4-ethylphenyl)-3,4,5-trimethoxybenzamide
CID 19210874
N-(benzenesulfonyl)-N-(4-ethylphenyl)-4-methyl-3-nitrobenzamide
CID 19211337
N-(benzenesulfonyl)-N-(4-ethylphenyl)-3-nitrobenzamide
CID 19211368
4-tert-butyl-N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 19211038
(E)-N-(benzenesulfonyl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide
CID 19211834
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 19210617
N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(4-methylphenoxy)acetamide
CID 19212677
N-(4-ethylphenyl)-3,5-dimethoxy-N-(4-methylphenyl)sulfonylbenzamide
CID 19211422

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-4-tert-butyl-N-(4-ethylphenyl)benzamide?
The IUPAC name of N-(benzenesulfonyl)-4-tert-butyl-N-(4-ethylphenyl)benzamide (CID 19211034) is N-(benzenesulfonyl)-4-tert-butyl-N-(4-ethylphenyl)benzamide.
What is the SMILES notation for N-(benzenesulfonyl)-4-tert-butyl-N-(4-ethylphenyl)benzamide?
The canonical SMILES for N-(benzenesulfonyl)-4-tert-butyl-N-(4-ethylphenyl)benzamide is CCc1ccc(N(C(=O)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(benzenesulfonyl)-4-tert-butyl-N-(4-ethylphenyl)benzamide?
The InChIKey is SWDQAILDBFIXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3S/c1-5-19-11-17-22(18-12-19)26(30(28,29)23-9-7-6-8-10-23)24(27)20-13-15-21(16-14-20)25(2,3)4/h6-18H,5H2,1-4H3.
What are the key properties of N-(benzenesulfonyl)-4-tert-butyl-N-(4-ethylphenyl)benzamide?
N-(benzenesulfonyl)-4-tert-butyl-N-(4-ethylphenyl)benzamide has a molecular weight of 421.56 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-4-tert-butyl-N-(4-ethylphenyl)benzamide is sourced from PubChem (CID 19211034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).