N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-bromo-3-methylphenoxy)acetamide

C23H23BrN2O4S — CID 3418325

IUPACN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-bromo-3-methylphenoxy)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)ccc1Br
InChIInChI=1S/C23H23BrN2O4S/c1-17-14-20(10-13-22(17)24)30-16-23(27)25-19-8-11-21(12-9-19)31(28,29)26(2)15-18-6-4-3-5-7-18/h3-14H,15-16H2,1-2H3,(H,25,27)
InChIKeyUQEBXPRIRZURDH-UHFFFAOYSA-N
MW503.42 g/mol
LogP4.60
Rot. Bonds8

About N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-bromo-3-methylphenoxy)acetamide

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-bromo-3-methylphenoxy)acetamide (PubChem CID 3418325) has the molecular formula C23H23BrN2O4S and a molecular weight of 503.42 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-bromo-3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-bromo-3-methylphenoxy)acetamide
PubChem CID3418325
Molecular FormulaC23H23BrN2O4S
Molecular Weight503.42 g/mol
Exact Mass502.06
IUPAC NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-bromo-3-methylphenoxy)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)ccc1Br
InChIInChI=1S/C23H23BrN2O4S/c1-17-14-20(10-13-22(17)24)30-16-23(27)25-19-8-11-21(12-9-19)31(28,29)26(2)15-18-6-4-3-5-7-18/h3-14H,15-16H2,1-2H3,(H,25,27)
InChIKeyUQEBXPRIRZURDH-UHFFFAOYSA-N
XLogP4.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.42
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxyacetamide
CID 3417784
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 126309888
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 3318426
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-ethoxyphenyl)acetamide
CID 3921360
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126315410
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(3,5-dichlorophenyl)acetamide
CID 126327645
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100801141
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 3652975
2-(4-bromo-3-methylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 1010190
N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2-(4-methylphenoxy)acetamide
CID 4634495
2-(4-bromo-3-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 19176553
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 99967933

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-bromo-3-methylphenoxy)acetamide?
The IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-bromo-3-methylphenoxy)acetamide (CID 3418325) is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-bromo-3-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-bromo-3-methylphenoxy)acetamide?
The canonical SMILES for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-bromo-3-methylphenoxy)acetamide is Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)ccc1Br.
What is the InChIKey of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-bromo-3-methylphenoxy)acetamide?
The InChIKey is UQEBXPRIRZURDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O4S/c1-17-14-20(10-13-22(17)24)30-16-23(27)25-19-8-11-21(12-9-19)31(28,29)26(2)15-18-6-4-3-5-7-18/h3-14H,15-16H2,1-2H3,(H,25,27).
What are the key properties of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-bromo-3-methylphenoxy)acetamide?
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-bromo-3-methylphenoxy)acetamide has a molecular weight of 503.42 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-bromo-3-methylphenoxy)acetamide is sourced from PubChem (CID 3418325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).