2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide

C21H26N2O4S — CID 4929865

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide
SMILESC=CCNS(=O)(=O)c1ccc(NC(=O)COc2cc(C)ccc2C(C)C)cc1
InChIInChI=1S/C21H26N2O4S/c1-5-12-22-28(25,26)18-9-7-17(8-10-18)23-21(24)14-27-20-13-16(4)6-11-19(20)15(2)3/h5-11,13,15,22H,1,12,14H2,2-4H3,(H,23,24)
InChIKeyYZEIEVJQPANEFW-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.60
Rot. Bonds9

About 2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide

2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide (PubChem CID 4929865) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide
PubChem CID4929865
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide
SMILESC=CCNS(=O)(=O)c1ccc(NC(=O)COc2cc(C)ccc2C(C)C)cc1
InChIInChI=1S/C21H26N2O4S/c1-5-12-22-28(25,26)18-9-7-17(8-10-18)23-21(24)14-27-20-13-16(4)6-11-19(20)15(2)3/h5-11,13,15,22H,1,12,14H2,2-4H3,(H,23,24)
InChIKeyYZEIEVJQPANEFW-UHFFFAOYSA-N
XLogP3.60
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(sulfamoylmethyl)phenyl]acetamide
CID 134019481
2-(2-methoxyphenoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide
CID 4929859
2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 17071417
N-(4-cyanophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 921044
N-(3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 682181
2-(2,5-dimethylphenoxy)-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 4932601
N-[2-(benzenesulfonamido)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 86922039
2-(4-chloro-3-methylphenoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide
CID 2987150
N-(4-bromo-3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1325958
2-(4-bromo-2-tert-butylphenoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide
CID 17051628
methyl 3-oxo-3-[4-(prop-2-enylsulfamoyl)anilino]propanoate
CID 28637974
N-(2-methyl-5-methylsulfonylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 26811243

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide (CID 4929865) is 2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide is C=CCNS(=O)(=O)c1ccc(NC(=O)COc2cc(C)ccc2C(C)C)cc1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide?
The InChIKey is YZEIEVJQPANEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-5-12-22-28(25,26)18-9-7-17(8-10-18)23-21(24)14-27-20-13-16(4)6-11-19(20)15(2)3/h5-11,13,15,22H,1,12,14H2,2-4H3,(H,23,24).
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide?
2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide has a molecular weight of 402.52 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 4929865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).