2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,6-diethylphenyl)acetamide

C25H26BrClN2O3S — CID 126325627

IUPAC2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H26BrClN2O3S/c1-3-19-6-5-7-20(4-2)25(19)28-24(30)17-29(16-18-8-10-21(26)11-9-18)33(31,32)23-14-12-22(27)13-15-23/h5-15H,3-4,16-17H2,1-2H3,(H,28,30)
InChIKeyGYGQPYRAQLGWPK-UHFFFAOYSA-N
MW549.92 g/mol
LogP6.06
Rot. Bonds9

About 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,6-diethylphenyl)acetamide

2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,6-diethylphenyl)acetamide (PubChem CID 126325627) has the molecular formula C25H26BrClN2O3S and a molecular weight of 549.92 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,6-diethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,6-diethylphenyl)acetamide
PubChem CID126325627
Molecular FormulaC25H26BrClN2O3S
Molecular Weight549.92 g/mol
Exact Mass548.05
IUPAC Name2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H26BrClN2O3S/c1-3-19-6-5-7-20(4-2)25(19)28-24(30)17-29(16-18-8-10-21(26)11-9-18)33(31,32)23-14-12-22(27)13-15-23/h5-15H,3-4,16-17H2,1-2H3,(H,28,30)
InChIKeyGYGQPYRAQLGWPK-UHFFFAOYSA-N
XLogP6.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.92
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2,6-dimethylphenyl)-2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetamide
CID 100797904
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 2620856
2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)acetamide
CID 126099420
N-(4-bromo-2,6-diethylphenyl)-2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100797939
2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 126095868
N-(4-bromo-2,6-diethylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 100797750
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-propylacetamide
CID 126099656
2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,6-diethylphenyl)acetamide
CID 126332352
2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 126095141
2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,6-difluorophenyl)acetamide
CID 126086350
N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 100797673
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100792928

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,6-diethylphenyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,6-diethylphenyl)acetamide (CID 126325627) is 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,6-diethylphenyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,6-diethylphenyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,6-diethylphenyl)acetamide is CCc1cccc(CC)c1NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,6-diethylphenyl)acetamide?
The InChIKey is GYGQPYRAQLGWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrClN2O3S/c1-3-19-6-5-7-20(4-2)25(19)28-24(30)17-29(16-18-8-10-21(26)11-9-18)33(31,32)23-14-12-22(27)13-15-23/h5-15H,3-4,16-17H2,1-2H3,(H,28,30).
What are the key properties of 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,6-diethylphenyl)acetamide?
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,6-diethylphenyl)acetamide has a molecular weight of 549.92 g/mol, XLogP of 6.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,6-diethylphenyl)acetamide is sourced from PubChem (CID 126325627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).