N-(2-benzoyl-4-chlorophenyl)-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide

C23H20BrClN2O4S — CID 45372673

IUPACN-(2-benzoyl-4-chlorophenyl)-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C23H20BrClN2O4S/c1-2-27(32(30,31)19-11-8-17(24)9-12-19)15-22(28)26-21-13-10-18(25)14-20(21)23(29)16-6-4-3-5-7-16/h3-14H,2,15H2,1H3,(H,26,28)
InChIKeySFDKIGNSWIQWHL-UHFFFAOYSA-N
MW535.85 g/mol
LogP4.98
Rot. Bonds8

About N-(2-benzoyl-4-chlorophenyl)-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide

N-(2-benzoyl-4-chlorophenyl)-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide (PubChem CID 45372673) has the molecular formula C23H20BrClN2O4S and a molecular weight of 535.85 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide
PubChem CID45372673
Molecular FormulaC23H20BrClN2O4S
Molecular Weight535.85 g/mol
Exact Mass534.00
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C23H20BrClN2O4S/c1-2-27(32(30,31)19-11-8-17(24)9-12-19)15-22(28)26-21-13-10-18(25)14-20(21)23(29)16-6-4-3-5-7-16/h3-14H,2,15H2,1H3,(H,26,28)
InChIKeySFDKIGNSWIQWHL-UHFFFAOYSA-N
XLogP4.98
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.85
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 45372698
2-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2,4-dichlorophenyl)acetamide
CID 3950421
N-(2-benzoyl-4-chlorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 45372617
N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 2224277
methyl 2-[[2-[(4-chlorophenyl)sulfonyl-ethylamino]acetyl]amino]benzoate
CID 2235771
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(2,5-difluorophenyl)acetamide
CID 28547200
2-(benzenesulfonyl)-N-(2-benzoyl-4-chlorophenyl)acetamide
CID 4653730
N-(5-chloro-2-methylphenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2990028
N-(2-benzoyl-4-chlorophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 30168164
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-chloro-2-methylphenyl)acetamide
CID 126065452
2-[benzenesulfonyl(ethyl)amino]-N-(2-bromophenyl)acetamide
CID 45371859
2-[(4-bromophenyl)sulfonyl-ethylamino]-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 45371878

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide (CID 45372673) is N-(2-benzoyl-4-chlorophenyl)-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide is CCN(CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide?
The InChIKey is SFDKIGNSWIQWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrClN2O4S/c1-2-27(32(30,31)19-11-8-17(24)9-12-19)15-22(28)26-21-13-10-18(25)14-20(21)23(29)16-6-4-3-5-7-16/h3-14H,2,15H2,1H3,(H,26,28).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide?
N-(2-benzoyl-4-chlorophenyl)-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide has a molecular weight of 535.85 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide is sourced from PubChem (CID 45372673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).