N-(4-bromophenyl)sulfonyl-4-(2-ethoxy-5-methylphenyl)-2-(2-methylpropyl)benzamide

C26H28BrNO4S — CID 110161945

IUPACN-(4-bromophenyl)sulfonyl-4-(2-ethoxy-5-methylphenyl)-2-(2-methylpropyl)benzamide
SMILESCCOc1ccc(C)cc1-c1ccc(C(=O)NS(=O)(=O)c2ccc(Br)cc2)c(CC(C)C)c1
InChIInChI=1S/C26H28BrNO4S/c1-5-32-25-13-6-18(4)15-24(25)19-7-12-23(20(16-19)14-17(2)3)26(29)28-33(30,31)22-10-8-21(27)9-11-22/h6-13,15-17H,5,14H2,1-4H3,(H,28,29)
InChIKeyXEYITFBYMAMPAD-UHFFFAOYSA-N
MW530.48 g/mol
LogP6.14
Rot. Bonds8

About N-(4-bromophenyl)sulfonyl-4-(2-ethoxy-5-methylphenyl)-2-(2-methylpropyl)benzamide

N-(4-bromophenyl)sulfonyl-4-(2-ethoxy-5-methylphenyl)-2-(2-methylpropyl)benzamide (PubChem CID 110161945) has the molecular formula C26H28BrNO4S and a molecular weight of 530.48 g/mol. Its IUPAC name is N-(4-bromophenyl)sulfonyl-4-(2-ethoxy-5-methylphenyl)-2-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)sulfonyl-4-(2-ethoxy-5-methylphenyl)-2-(2-methylpropyl)benzamide
PubChem CID110161945
Molecular FormulaC26H28BrNO4S
Molecular Weight530.48 g/mol
Exact Mass529.09
IUPAC NameN-(4-bromophenyl)sulfonyl-4-(2-ethoxy-5-methylphenyl)-2-(2-methylpropyl)benzamide
SMILESCCOc1ccc(C)cc1-c1ccc(C(=O)NS(=O)(=O)c2ccc(Br)cc2)c(CC(C)C)c1
InChIInChI=1S/C26H28BrNO4S/c1-5-32-25-13-6-18(4)15-24(25)19-7-12-23(20(16-19)14-17(2)3)26(29)28-33(30,31)22-10-8-21(27)9-11-22/h6-13,15-17H,5,14H2,1-4H3,(H,28,29)
InChIKeyXEYITFBYMAMPAD-UHFFFAOYSA-N
XLogP6.14
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.48
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethoxy-5-methylphenyl)-2-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide
CID 110077583
N-(4-bromophenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-phenylethyl)benzamide
CID 110166007
N-(3-chloro-2-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-methylpropyl)benzamide
CID 110077573
2-[(4-bromophenyl)methoxy]-4-methyl-N-(4-methylsulfonylphenyl)sulfonylbenzamide
CID 110161798
N-(4-tert-butylphenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-phenylethyl)benzamide
CID 110165969
2-(4-bromophenyl)-N-(3,4-diethoxyphenyl)sulfonylacetamide
CID 166182044
2-bromo-5-chloro-N-(4-ethoxyphenyl)sulfonylbenzamide
CID 78895773
4-bromo-N-(2-ethoxy-5-methylphenyl)benzamide
CID 868412
2-ethoxy-4-methyl-1-(2-methylpropyl)benzene
CID 118359593
2-ethoxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 56808508
3,4-diethoxy-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 9055901
N-(4-bromophenyl)sulfonyl-3-methylbutanamide
CID 47108774

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)sulfonyl-4-(2-ethoxy-5-methylphenyl)-2-(2-methylpropyl)benzamide?
The IUPAC name of N-(4-bromophenyl)sulfonyl-4-(2-ethoxy-5-methylphenyl)-2-(2-methylpropyl)benzamide (CID 110161945) is N-(4-bromophenyl)sulfonyl-4-(2-ethoxy-5-methylphenyl)-2-(2-methylpropyl)benzamide.
What is the SMILES notation for N-(4-bromophenyl)sulfonyl-4-(2-ethoxy-5-methylphenyl)-2-(2-methylpropyl)benzamide?
The canonical SMILES for N-(4-bromophenyl)sulfonyl-4-(2-ethoxy-5-methylphenyl)-2-(2-methylpropyl)benzamide is CCOc1ccc(C)cc1-c1ccc(C(=O)NS(=O)(=O)c2ccc(Br)cc2)c(CC(C)C)c1.
What is the InChIKey of N-(4-bromophenyl)sulfonyl-4-(2-ethoxy-5-methylphenyl)-2-(2-methylpropyl)benzamide?
The InChIKey is XEYITFBYMAMPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28BrNO4S/c1-5-32-25-13-6-18(4)15-24(25)19-7-12-23(20(16-19)14-17(2)3)26(29)28-33(30,31)22-10-8-21(27)9-11-22/h6-13,15-17H,5,14H2,1-4H3,(H,28,29).
What are the key properties of N-(4-bromophenyl)sulfonyl-4-(2-ethoxy-5-methylphenyl)-2-(2-methylpropyl)benzamide?
N-(4-bromophenyl)sulfonyl-4-(2-ethoxy-5-methylphenyl)-2-(2-methylpropyl)benzamide has a molecular weight of 530.48 g/mol, XLogP of 6.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)sulfonyl-4-(2-ethoxy-5-methylphenyl)-2-(2-methylpropyl)benzamide is sourced from PubChem (CID 110161945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).