2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(4-phenoxyphenyl)acetamide

C28H26N2O5S — CID 30169662

IUPAC2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(4-phenoxyphenyl)acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C28H26N2O5S/c1-2-34-24-19-15-23(16-20-24)30(36(32,33)27-11-7-4-8-12-27)21-28(31)29-22-13-17-26(18-14-22)35-25-9-5-3-6-10-25/h3-20H,2,21H2,1H3,(H,29,31)
InChIKeySUDXIDDHVOMYTP-UHFFFAOYSA-N
MW502.59 g/mol
LogP5.71
Rot. Bonds10

About 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(4-phenoxyphenyl)acetamide

2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(4-phenoxyphenyl)acetamide (PubChem CID 30169662) has the molecular formula C28H26N2O5S and a molecular weight of 502.59 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(4-phenoxyphenyl)acetamide
PubChem CID30169662
Molecular FormulaC28H26N2O5S
Molecular Weight502.59 g/mol
Exact Mass502.16
IUPAC Name2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(4-phenoxyphenyl)acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C28H26N2O5S/c1-2-34-24-19-15-23(16-20-24)30(36(32,33)27-11-7-4-8-12-27)21-28(31)29-22-13-17-26(18-14-22)35-25-9-5-3-6-10-25/h3-20H,2,21H2,1H3,(H,29,31)
InChIKeySUDXIDDHVOMYTP-UHFFFAOYSA-N
XLogP5.71
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.59
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(4-phenoxyphenyl)acetamide
CID 126386472
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 43891751
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(4-chlorophenyl)acetamide
CID 1343150
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(4-ethoxyphenyl)acetamide
CID 126134483
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 1362820
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 1318540
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-phenoxyphenyl)acetamide
CID 51345277
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(3,5-dichlorophenyl)acetamide
CID 30169668
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-ethoxyphenyl)acetamide
CID 1361638
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(4-phenoxyphenyl)acetamide
CID 30173217
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-(4-ethoxyphenyl)acetamide
CID 2273103
N-(4-acetamidophenyl)-2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1302894

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(4-phenoxyphenyl)acetamide (CID 30169662) is 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(4-phenoxyphenyl)acetamide is CCOc1ccc(N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is SUDXIDDHVOMYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O5S/c1-2-34-24-19-15-23(16-20-24)30(36(32,33)27-11-7-4-8-12-27)21-28(31)29-22-13-17-26(18-14-22)35-25-9-5-3-6-10-25/h3-20H,2,21H2,1H3,(H,29,31).
What are the key properties of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(4-phenoxyphenyl)acetamide?
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 502.59 g/mol, XLogP of 5.71, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 30169662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).