2-[acetyl-(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide

C18H19BrN2O4S — CID 99784876

IUPAC2-[acetyl-(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H19BrN2O4S/c1-12-4-9-17(13(2)10-12)20-18(23)11-21(14(3)22)26(24,25)16-7-5-15(19)6-8-16/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyAQAWUMAYWALXNP-UHFFFAOYSA-N
MW439.33 g/mol
LogP3.24
Rot. Bonds5

About 2-[acetyl-(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide

2-[acetyl-(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 99784876) has the molecular formula C18H19BrN2O4S and a molecular weight of 439.33 g/mol. Its IUPAC name is 2-[acetyl-(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide
PubChem CID99784876
Molecular FormulaC18H19BrN2O4S
Molecular Weight439.33 g/mol
Exact Mass438.02
IUPAC Name2-[acetyl-(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H19BrN2O4S/c1-12-4-9-17(13(2)10-12)20-18(23)11-21(14(3)22)26(24,25)16-7-5-15(19)6-8-16/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyAQAWUMAYWALXNP-UHFFFAOYSA-N
XLogP3.24
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 3955899
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 51345359
N-(4-bromo-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 26943608
2-(4-bromophenyl)-N-(2,4-dimethylphenyl)acetamide
CID 2600129
N-(2,4-dimethylphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1334839
N-(4-bromo-2-methylphenyl)-2-[(2-chloro-4-methylphenyl)sulfonyl-methylamino]acetamide
CID 32676028
4-bromo-N-(2,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50891831
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 30172343
N-(2,4-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 45373105
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-chloro-2-methylphenyl)acetamide
CID 126065452
N-(2,4-dimethylphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172229
2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(4-chloro-2-methylphenyl)acetamide
CID 126371814

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[acetyl-(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide (CID 99784876) is 2-[acetyl-(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[acetyl-(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[acetyl-(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is AQAWUMAYWALXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4S/c1-12-4-9-17(13(2)10-12)20-18(23)11-21(14(3)22)26(24,25)16-7-5-15(19)6-8-16/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of 2-[acetyl-(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide?
2-[acetyl-(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 439.33 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 99784876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).