N-(benzenesulfonyl)-2-(2-bromo-4-propylphenoxy)-N-(4-ethylphenyl)acetamide

C25H26BrNO4S — CID 19219946

IUPACN-(benzenesulfonyl)-2-(2-bromo-4-propylphenoxy)-N-(4-ethylphenyl)acetamide
SMILESCCCc1ccc(OCC(=O)N(c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)c(Br)c1
InChIInChI=1S/C25H26BrNO4S/c1-3-8-20-13-16-24(23(26)17-20)31-18-25(28)27(21-14-11-19(4-2)12-15-21)32(29,30)22-9-6-5-7-10-22/h5-7,9-17H,3-4,8,18H2,1-2H3
InChIKeyAUZWHRVBPNBGKG-UHFFFAOYSA-N
MW516.46 g/mol
LogP5.76
Rot. Bonds9

About N-(benzenesulfonyl)-2-(2-bromo-4-propylphenoxy)-N-(4-ethylphenyl)acetamide

N-(benzenesulfonyl)-2-(2-bromo-4-propylphenoxy)-N-(4-ethylphenyl)acetamide (PubChem CID 19219946) has the molecular formula C25H26BrNO4S and a molecular weight of 516.46 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-(2-bromo-4-propylphenoxy)-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-(2-bromo-4-propylphenoxy)-N-(4-ethylphenyl)acetamide
PubChem CID19219946
Molecular FormulaC25H26BrNO4S
Molecular Weight516.46 g/mol
Exact Mass515.08
IUPAC NameN-(benzenesulfonyl)-2-(2-bromo-4-propylphenoxy)-N-(4-ethylphenyl)acetamide
SMILESCCCc1ccc(OCC(=O)N(c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)c(Br)c1
InChIInChI=1S/C25H26BrNO4S/c1-3-8-20-13-16-24(23(26)17-20)31-18-25(28)27(21-14-11-19(4-2)12-15-21)32(29,30)22-9-6-5-7-10-22/h5-7,9-17H,3-4,8,18H2,1-2H3
InChIKeyAUZWHRVBPNBGKG-UHFFFAOYSA-N
XLogP5.76
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.46
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-ethylphenyl)acetamide
CID 19219981
N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19219983
2-(2-bromo-4-propylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19219952
N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(2-phenylphenoxy)acetamide
CID 19219400
N-(benzenesulfonyl)-2-(2,4-dibromophenoxy)-N-(4-methoxyphenyl)acetamide
CID 19217315
N-(benzenesulfonyl)-2-(2-bromo-4-chlorophenoxy)-N-(4-methylphenyl)acetamide
CID 19220017
N-(benzenesulfonyl)-2-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methylphenyl)acetamide
CID 19219869
N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(4-methylphenoxy)acetamide
CID 19212677
2-(2-bromophenoxy)-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19218232
N-(benzenesulfonyl)-2-(4-bromo-2-ethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19219764
2-(4-bromo-2-ethylphenoxy)-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19219771
[4-[benzenesulfonyl(butanoyl)amino]-2-bromophenyl] butanoate
CID 1098518

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-(2-bromo-4-propylphenoxy)-N-(4-ethylphenyl)acetamide?
The IUPAC name of N-(benzenesulfonyl)-2-(2-bromo-4-propylphenoxy)-N-(4-ethylphenyl)acetamide (CID 19219946) is N-(benzenesulfonyl)-2-(2-bromo-4-propylphenoxy)-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-(2-bromo-4-propylphenoxy)-N-(4-ethylphenyl)acetamide?
The canonical SMILES for N-(benzenesulfonyl)-2-(2-bromo-4-propylphenoxy)-N-(4-ethylphenyl)acetamide is CCCc1ccc(OCC(=O)N(c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)c(Br)c1.
What is the InChIKey of N-(benzenesulfonyl)-2-(2-bromo-4-propylphenoxy)-N-(4-ethylphenyl)acetamide?
The InChIKey is AUZWHRVBPNBGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrNO4S/c1-3-8-20-13-16-24(23(26)17-20)31-18-25(28)27(21-14-11-19(4-2)12-15-21)32(29,30)22-9-6-5-7-10-22/h5-7,9-17H,3-4,8,18H2,1-2H3.
What are the key properties of N-(benzenesulfonyl)-2-(2-bromo-4-propylphenoxy)-N-(4-ethylphenyl)acetamide?
N-(benzenesulfonyl)-2-(2-bromo-4-propylphenoxy)-N-(4-ethylphenyl)acetamide has a molecular weight of 516.46 g/mol, XLogP of 5.76, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-(2-bromo-4-propylphenoxy)-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 19219946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).