N-(4-bromo-2,6-diethylphenyl)-2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide

C26H28BrClN2O4S — CID 100798781

IUPACN-(4-bromo-2,6-diethylphenyl)-2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
SMILESCCc1cc(Br)cc(CC)c1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C26H28BrClN2O4S/c1-5-18-14-20(27)15-19(6-2)26(18)29-25(31)16-30(22-10-8-21(28)9-11-22)35(32,33)24-13-17(3)7-12-23(24)34-4/h7-15H,5-6,16H2,1-4H3,(H,29,31)
InChIKeyQUKXAPQPAAQFHT-UHFFFAOYSA-N
MW579.94 g/mol
LogP6.38
Rot. Bonds9

About N-(4-bromo-2,6-diethylphenyl)-2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide

N-(4-bromo-2,6-diethylphenyl)-2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide (PubChem CID 100798781) has the molecular formula C26H28BrClN2O4S and a molecular weight of 579.94 g/mol. Its IUPAC name is N-(4-bromo-2,6-diethylphenyl)-2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-diethylphenyl)-2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
PubChem CID100798781
Molecular FormulaC26H28BrClN2O4S
Molecular Weight579.94 g/mol
Exact Mass578.06
IUPAC NameN-(4-bromo-2,6-diethylphenyl)-2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
SMILESCCc1cc(Br)cc(CC)c1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C26H28BrClN2O4S/c1-5-18-14-20(27)15-19(6-2)26(18)29-25(31)16-30(22-10-8-21(28)9-11-22)35(32,33)24-13-17(3)7-12-23(24)34-4/h7-15H,5-6,16H2,1-4H3,(H,29,31)
InChIKeyQUKXAPQPAAQFHT-UHFFFAOYSA-N
XLogP6.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.94
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2,6-dimethylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 100798733
N-(2,6-dichlorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126394431
2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,5-difluorophenyl)acetamide
CID 28547422
2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 28547418
N-(5-chloro-2-methylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126395247
4-[[2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 2301795
N-(4-acetamidophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126393004
N-(4-bromophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetamide
CID 126394469
2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 99967444
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 28548160
N-(4-ethylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 126394532
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 28547217

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-diethylphenyl)-2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(4-bromo-2,6-diethylphenyl)-2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide (CID 100798781) is N-(4-bromo-2,6-diethylphenyl)-2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(4-bromo-2,6-diethylphenyl)-2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(4-bromo-2,6-diethylphenyl)-2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide is CCc1cc(Br)cc(CC)c1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C)ccc1OC.
What is the InChIKey of N-(4-bromo-2,6-diethylphenyl)-2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is QUKXAPQPAAQFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28BrClN2O4S/c1-5-18-14-20(27)15-19(6-2)26(18)29-25(31)16-30(22-10-8-21(28)9-11-22)35(32,33)24-13-17(3)7-12-23(24)34-4/h7-15H,5-6,16H2,1-4H3,(H,29,31).
What are the key properties of N-(4-bromo-2,6-diethylphenyl)-2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide?
N-(4-bromo-2,6-diethylphenyl)-2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 579.94 g/mol, XLogP of 6.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-diethylphenyl)-2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 100798781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).