2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-propan-2-ylphenyl)acetamide

C25H28N2O5S — CID 4238815

IUPAC2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-propan-2-ylphenyl)acetamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(C)C)cc3)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-4-31-22-11-9-21(10-12-22)27-33(29,30)24-15-13-23(14-16-24)32-17-25(28)26-20-7-5-19(6-8-20)18(2)3/h5-16,18,27H,4,17H2,1-3H3,(H,26,28)
InChIKeyFXXMFSVDQDQLGE-UHFFFAOYSA-N
MW468.58 g/mol
LogP5.03
Rot. Bonds10

About 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-propan-2-ylphenyl)acetamide

2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 4238815) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID4238815
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC Name2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-propan-2-ylphenyl)acetamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(C)C)cc3)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-4-31-22-11-9-21(10-12-22)27-33(29,30)24-15-13-23(14-16-24)32-17-25(28)26-20-7-5-19(6-8-20)18(2)3/h5-16,18,27H,4,17H2,1-3H3,(H,26,28)
InChIKeyFXXMFSVDQDQLGE-UHFFFAOYSA-N
XLogP5.03
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.58
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 126395320
2-(4-tert-butylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3278728
2-(4-propan-2-ylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 1015546
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 124551632
N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 4928885
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 2226464
2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid
CID 1260151
N-(4-propan-2-ylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 45374710
N-(2-ethoxyphenyl)-2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 126393709
2-phenoxy-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 5157338
N-[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]phenyl]butanamide
CID 17202439
N-(4-piperidin-1-ylsulfonylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1298043

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-propan-2-ylphenyl)acetamide (CID 4238815) is 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-propan-2-ylphenyl)acetamide is CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(C)C)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is FXXMFSVDQDQLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-4-31-22-11-9-21(10-12-22)27-33(29,30)24-15-13-23(14-16-24)32-17-25(28)26-20-7-5-19(6-8-20)18(2)3/h5-16,18,27H,4,17H2,1-3H3,(H,26,28).
What are the key properties of 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-propan-2-ylphenyl)acetamide?
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 468.58 g/mol, XLogP of 5.03, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 4238815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).