N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide

C25H28N2O4S — CID 1294898

IUPACN-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C25H28N2O4S/c1-4-27(22-8-6-5-7-9-22)32(29,30)24-16-12-21(13-17-24)26-25(28)18-31-23-14-10-20(11-15-23)19(2)3/h5-17,19H,4,18H2,1-3H3,(H,26,28)
InChIKeyBSDMRXWFAKUFRX-UHFFFAOYSA-N
MW452.58 g/mol
LogP5.04
Rot. Bonds9

About N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide

N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 1294898) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID1294898
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC NameN-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C25H28N2O4S/c1-4-27(22-8-6-5-7-9-22)32(29,30)24-16-12-21(13-17-24)26-25(28)18-31-23-14-10-20(11-15-23)19(2)3/h5-17,19H,4,18H2,1-3H3,(H,26,28)
InChIKeyBSDMRXWFAKUFRX-UHFFFAOYSA-N
XLogP5.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.58
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 17247121
2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-phenylacetamide
CID 17247287
2-[4-[ethyl(phenyl)sulfamoyl]phenoxy]-N-pentan-3-ylacetamide
CID 7613163
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 92649203
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-chlorophenyl)acetamide
CID 17247126
N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1320918
N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 4928885
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 30171602
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 2223888
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 4238815
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-methylsulfanylphenyl)acetamide
CID 92649173
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 1318540

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide (CID 1294898) is N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is BSDMRXWFAKUFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-4-27(22-8-6-5-7-9-22)32(29,30)24-16-12-21(13-17-24)26-25(28)18-31-23-14-10-20(11-15-23)19(2)3/h5-17,19H,4,18H2,1-3H3,(H,26,28).
What are the key properties of N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide?
N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 452.58 g/mol, XLogP of 5.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 1294898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).