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

C26H29NO4S — CID 19211038

IUPAC4-tert-butyl-N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonylbenzamide
SMILESCCOc1ccc(N(C(=O)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H29NO4S/c1-6-31-23-15-13-22(14-16-23)27(32(29,30)24-17-7-19(2)8-18-24)25(28)20-9-11-21(12-10-20)26(3,4)5/h7-18H,6H2,1-5H3
InChIKeyPOESTNRHBZCASD-UHFFFAOYSA-N
MW451.59 g/mol
LogP5.73
Rot. Bonds6

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

4-tert-butyl-N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonylbenzamide (PubChem CID 19211038) has the molecular formula C26H29NO4S and a molecular weight of 451.59 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonylbenzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonylbenzamide
PubChem CID19211038
Molecular FormulaC26H29NO4S
Molecular Weight451.59 g/mol
Exact Mass451.18
IUPAC Name4-tert-butyl-N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonylbenzamide
SMILESCCOc1ccc(N(C(=O)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H29NO4S/c1-6-31-23-15-13-22(14-16-23)27(32(29,30)24-17-7-19(2)8-18-24)25(28)20-9-11-21(12-10-20)26(3,4)5/h7-18H,6H2,1-5H3
InChIKeyPOESTNRHBZCASD-UHFFFAOYSA-N
XLogP5.73
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.59
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonylbenzamide 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-ethoxyphenyl)-N-(4-methylphenyl)sulfonyl-4-phenylbenzamide
CID 19211132
4-tert-butyl-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 19211041
N-(4-ethoxyphenyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 19212681
N-(4-ethoxyphenyl)-2-iodo-N-(4-methylphenyl)sulfonylbenzamide
CID 19219342
N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonylcyclopropanecarboxamide
CID 19219517
N-(benzenesulfonyl)-4-tert-butyl-N-(4-ethylphenyl)benzamide
CID 19211034
N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)-4-methyl-3-nitrobenzamide
CID 19211344
N-(4-ethoxyphenyl)-2-(3-methoxyphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 19220163
2-(4-tert-butylphenoxy)-N-(3-chloro-4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19217802
N-(4-methoxyphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide
CID 19219311
N-(benzenesulfonyl)-N-(4-ethoxyphenyl)-3-nitrobenzamide
CID 19211370
4-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide
CID 19218975

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonylbenzamide?
The IUPAC name of 4-tert-butyl-N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonylbenzamide (CID 19211038) is 4-tert-butyl-N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonylbenzamide.
What is the SMILES notation for 4-tert-butyl-N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonylbenzamide?
The canonical SMILES for 4-tert-butyl-N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonylbenzamide is CCOc1ccc(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-ethoxyphenyl)-N-(4-methylphenyl)sulfonylbenzamide?
The InChIKey is POESTNRHBZCASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO4S/c1-6-31-23-15-13-22(14-16-23)27(32(29,30)24-17-7-19(2)8-18-24)25(28)20-9-11-21(12-10-20)26(3,4)5/h7-18H,6H2,1-5H3.
What are the key properties of 4-tert-butyl-N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonylbenzamide?
4-tert-butyl-N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonylbenzamide has a molecular weight of 451.59 g/mol, XLogP of 5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonylbenzamide is sourced from PubChem (CID 19211038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).