N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonyl-4-phenylbenzamide

C28H25NO4S — CID 19211132

IUPACN-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonyl-4-phenylbenzamide
SMILESCCOc1ccc(N(C(=O)c2ccc(-c3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C28H25NO4S/c1-3-33-26-17-15-25(16-18-26)29(34(31,32)27-19-9-21(2)10-20-27)28(30)24-13-11-23(12-14-24)22-7-5-4-6-8-22/h4-20H,3H2,1-2H3
InChIKeyAICSXGBIORVCIV-UHFFFAOYSA-N
MW471.58 g/mol
LogP6.10
Rot. Bonds7

About N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonyl-4-phenylbenzamide

N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonyl-4-phenylbenzamide (PubChem CID 19211132) has the molecular formula C28H25NO4S and a molecular weight of 471.58 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonyl-4-phenylbenzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonyl-4-phenylbenzamide
PubChem CID19211132
Molecular FormulaC28H25NO4S
Molecular Weight471.58 g/mol
Exact Mass471.15
IUPAC NameN-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonyl-4-phenylbenzamide
SMILESCCOc1ccc(N(C(=O)c2ccc(-c3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C28H25NO4S/c1-3-33-26-17-15-25(16-18-26)29(34(31,32)27-19-9-21(2)10-20-27)28(30)24-13-11-23(12-14-24)22-7-5-4-6-8-22/h4-20H,3H2,1-2H3
InChIKeyAICSXGBIORVCIV-UHFFFAOYSA-N
XLogP6.10
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.58
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 19211038
N-(4-ethoxyphenyl)-2-iodo-N-(4-methylphenyl)sulfonylbenzamide
CID 19219342
N-(4-ethoxyphenyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 19212681
N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide
CID 19212618
N-(benzenesulfonyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 19212675
N-(benzenesulfonyl)-N-(4-ethoxyphenyl)-3-nitrobenzamide
CID 19211370
N-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-methoxybenzamide
CID 19210850
N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonylcyclopropanecarboxamide
CID 19219517
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 19210617
4-methyl-N-[4-[(4-methylbenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide
CID 5128744
4-(4-methylphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide
CID 19218749
N-(benzenesulfonyl)-N-(4-ethoxyphenyl)thiophene-2-carboxamide
CID 19210466

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonyl-4-phenylbenzamide?
The IUPAC name of N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonyl-4-phenylbenzamide (CID 19211132) is N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonyl-4-phenylbenzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonyl-4-phenylbenzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonyl-4-phenylbenzamide is CCOc1ccc(N(C(=O)c2ccc(-c3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonyl-4-phenylbenzamide?
The InChIKey is AICSXGBIORVCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO4S/c1-3-33-26-17-15-25(16-18-26)29(34(31,32)27-19-9-21(2)10-20-27)28(30)24-13-11-23(12-14-24)22-7-5-4-6-8-22/h4-20H,3H2,1-2H3.
What are the key properties of N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonyl-4-phenylbenzamide?
N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonyl-4-phenylbenzamide has a molecular weight of 471.58 g/mol, XLogP of 6.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonyl-4-phenylbenzamide is sourced from PubChem (CID 19211132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).