N-(4-bromo-3-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide

C17H19BrN2O4S — CID 78784962

IUPACN-(4-bromo-3-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide
SMILESCCOc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C17H19BrN2O4S/c1-3-24-14-5-7-15(8-6-14)25(22,23)19-11-17(21)20-13-4-9-16(18)12(2)10-13/h4-10,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyLPEUYBBXBPHKHT-UHFFFAOYSA-N
MW427.32 g/mol
LogP3.07
Rot. Bonds7

About N-(4-bromo-3-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide

N-(4-bromo-3-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide (PubChem CID 78784962) has the molecular formula C17H19BrN2O4S and a molecular weight of 427.32 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide
PubChem CID78784962
Molecular FormulaC17H19BrN2O4S
Molecular Weight427.32 g/mol
Exact Mass426.02
IUPAC NameN-(4-bromo-3-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide
SMILESCCOc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C17H19BrN2O4S/c1-3-24-14-5-7-15(8-6-14)25(22,23)19-11-17(21)20-13-4-9-16(18)12(2)10-13/h4-10,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyLPEUYBBXBPHKHT-UHFFFAOYSA-N
XLogP3.07
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.32
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide
CID 112999332
N-(4-ethoxyphenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 112998900
N'-(4-bromo-3-methylphenyl)-N-(4-ethoxyphenyl)oxamide
CID 108514525
N-(4-bromo-3-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 51174629
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 41350542
2-[(2,4-dimethylphenyl)sulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 112998873
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 24637623
N-(2,3-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide
CID 9342508
2-[(4-ethoxyphenyl)sulfonylamino]acetate
CID 4244055
2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylacetamide
CID 9302289
N-(3,4-difluorophenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 26694786
2-[(4-bromophenyl)methylsulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 22299884

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide (CID 78784962) is N-(4-bromo-3-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide is CCOc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Br)c(C)c2)cc1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide?
The InChIKey is LPEUYBBXBPHKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O4S/c1-3-24-14-5-7-15(8-6-14)25(22,23)19-11-17(21)20-13-4-9-16(18)12(2)10-13/h4-10,19H,3,11H2,1-2H3,(H,20,21).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide?
N-(4-bromo-3-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide has a molecular weight of 427.32 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 78784962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).