2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide

C21H27BrN2O4S — CID 17188894

IUPAC2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide
SMILESCC(C)c1cc(Br)ccc1OCC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C21H27BrN2O4S/c1-14(2)18-12-15(22)6-11-19(18)28-13-20(25)23-16-7-9-17(10-8-16)29(26,27)24-21(3,4)5/h6-12,14,24H,13H2,1-5H3,(H,23,25)
InChIKeySEHJDZVWKCKIDM-UHFFFAOYSA-N
MW483.43 g/mol
LogP4.67
Rot. Bonds7

About 2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide

2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide (PubChem CID 17188894) has the molecular formula C21H27BrN2O4S and a molecular weight of 483.43 g/mol. Its IUPAC name is 2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide
PubChem CID17188894
Molecular FormulaC21H27BrN2O4S
Molecular Weight483.43 g/mol
Exact Mass482.09
IUPAC Name2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide
SMILESCC(C)c1cc(Br)ccc1OCC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C21H27BrN2O4S/c1-14(2)18-12-15(22)6-11-19(18)28-13-20(25)23-16-7-9-17(10-8-16)29(26,27)24-21(3,4)5/h6-12,14,24H,13H2,1-5H3,(H,23,25)
InChIKeySEHJDZVWKCKIDM-UHFFFAOYSA-N
XLogP4.67
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.43
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide
CID 1015592
N-[4-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-4-tert-butylbenzamide
CID 17235130
N-[4-(tert-butylsulfamoyl)phenyl]-2-(2,4-dichlorophenoxy)acetamide
CID 4693583
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
CID 17188906
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 17188857
N-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
CID 17252223
2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 17188963
2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide
CID 17095347
N-[5-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
CID 46761161
[2-(4-bromoanilino)-2-oxoethyl] 4-(tert-butylsulfamoyl)benzoate
CID 31656164
N-[3-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 17189024
5-bromo-N-[4-(tert-butylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide
CID 17357251

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide (CID 17188894) is 2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide is CC(C)c1cc(Br)ccc1OCC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1.
What is the InChIKey of 2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide?
The InChIKey is SEHJDZVWKCKIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27BrN2O4S/c1-14(2)18-12-15(22)6-11-19(18)28-13-20(25)23-16-7-9-17(10-8-16)29(26,27)24-21(3,4)5/h6-12,14,24H,13H2,1-5H3,(H,23,25).
What are the key properties of 2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide?
2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide has a molecular weight of 483.43 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 17188894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).