4-(4-ethylphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-oxobutanamide

C25H26N2O4S — CID 55346127

IUPAC4-(4-ethylphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C25H26N2O4S/c1-3-19-6-8-20(9-7-19)24(28)16-17-25(29)26-21-10-12-22(13-11-21)27-32(30,31)23-14-4-18(2)5-15-23/h4-15,27H,3,16-17H2,1-2H3,(H,26,29)
InChIKeyHXALNOWXVJQPBD-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.96
Rot. Bonds9

About 4-(4-ethylphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-oxobutanamide

4-(4-ethylphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-oxobutanamide (PubChem CID 55346127) has the molecular formula C25H26N2O4S and a molecular weight of 450.56 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-oxobutanamide
PubChem CID55346127
Molecular FormulaC25H26N2O4S
Molecular Weight450.56 g/mol
Exact Mass450.16
IUPAC Name4-(4-ethylphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C25H26N2O4S/c1-3-19-6-8-20(9-7-19)24(28)16-17-25(29)26-21-10-12-22(13-11-21)27-32(30,31)23-14-4-18(2)5-15-23/h4-15,27H,3,16-17H2,1-2H3,(H,26,29)
InChIKeyHXALNOWXVJQPBD-UHFFFAOYSA-N
XLogP4.96
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 2443081
4-(4-ethylphenyl)-N-[4-(methylsulfamoyl)phenyl]-4-oxobutanamide
CID 18159034
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 4581682
4-[3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanoylamino]benzamide
CID 126368002
3-chloro-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 94830981
N-[4-[(4-ethylphenyl)sulfamoyl]phenyl]acetamide
CID 798958
2-(4-acetamidophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55377318
methyl 4-[(4-ethylphenyl)sulfamoyl]benzoate
CID 26487109
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(4-methylphenyl)acetamide
CID 27228794
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)acetamide
CID 28580249
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
4-(4-ethylphenyl)-N-(4-methylsulfanylphenyl)-4-oxobutanamide
CID 24505212

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-oxobutanamide?
The IUPAC name of 4-(4-ethylphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-oxobutanamide (CID 55346127) is 4-(4-ethylphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-ethylphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-ethylphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-oxobutanamide is CCc1ccc(C(=O)CCC(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-oxobutanamide?
The InChIKey is HXALNOWXVJQPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4S/c1-3-19-6-8-20(9-7-19)24(28)16-17-25(29)26-21-10-12-22(13-11-21)27-32(30,31)23-14-4-18(2)5-15-23/h4-15,27H,3,16-17H2,1-2H3,(H,26,29).
What are the key properties of 4-(4-ethylphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-oxobutanamide?
4-(4-ethylphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-oxobutanamide has a molecular weight of 450.56 g/mol, XLogP of 4.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-oxobutanamide is sourced from PubChem (CID 55346127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).