2-(3-bromo-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]acetamide

C18H20BrClN2O3S — CID 30219848

IUPAC2-(3-bromo-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCCc1ccccc1Cl)c1cccc(Br)c1
InChIInChI=1S/C18H20BrClN2O3S/c1-26(24,25)22(16-9-4-8-15(19)12-16)13-18(23)21-11-5-7-14-6-2-3-10-17(14)20/h2-4,6,8-10,12H,5,7,11,13H2,1H3,(H,21,23)
InChIKeyXZFKKQNGXUQATQ-UHFFFAOYSA-N
MW459.79 g/mol
LogP3.62
Rot. Bonds8

About 2-(3-bromo-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]acetamide

2-(3-bromo-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]acetamide (PubChem CID 30219848) has the molecular formula C18H20BrClN2O3S and a molecular weight of 459.79 g/mol. Its IUPAC name is 2-(3-bromo-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(3-bromo-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]acetamide
PubChem CID30219848
Molecular FormulaC18H20BrClN2O3S
Molecular Weight459.79 g/mol
Exact Mass458.01
IUPAC Name2-(3-bromo-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCCc1ccccc1Cl)c1cccc(Br)c1
InChIInChI=1S/C18H20BrClN2O3S/c1-26(24,25)22(16-9-4-8-15(19)12-16)13-18(23)21-11-5-7-14-6-2-3-10-17(14)20/h2-4,6,8-10,12H,5,7,11,13H2,1H3,(H,21,23)
InChIKeyXZFKKQNGXUQATQ-UHFFFAOYSA-N
XLogP3.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.79
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[3-(2-chlorophenyl)propyl]acetamide
CID 30223544
N-[3-(2-chlorophenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 30220173
N-[3-(2-chlorophenyl)propyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
CID 30220391
(2S)-2-[[2-(3-bromo-N-methylsulfonylanilino)acetyl]-[(2-chlorophenyl)methyl]amino]-N-propylbutanamide
CID 100566220
N-[3-(2-chlorophenyl)propyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 30220284
N-[3-(2-chlorophenyl)propyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
CID 30220809
N-[3-(2-chlorophenyl)propyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 30222330
2-(3-bromo-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide
CID 30219885
N-[3-(2-chlorophenyl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30277293
2-(3-bromo-N-methylsulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30219855
N-[3-(2-chlorophenyl)propyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30226854
N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 43897340

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]acetamide?
The IUPAC name of 2-(3-bromo-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]acetamide (CID 30219848) is 2-(3-bromo-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]acetamide.
What is the SMILES notation for 2-(3-bromo-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]acetamide?
The canonical SMILES for 2-(3-bromo-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]acetamide is CS(=O)(=O)N(CC(=O)NCCCc1ccccc1Cl)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromo-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]acetamide?
The InChIKey is XZFKKQNGXUQATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrClN2O3S/c1-26(24,25)22(16-9-4-8-15(19)12-16)13-18(23)21-11-5-7-14-6-2-3-10-17(14)20/h2-4,6,8-10,12H,5,7,11,13H2,1H3,(H,21,23).
What are the key properties of 2-(3-bromo-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]acetamide?
2-(3-bromo-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]acetamide has a molecular weight of 459.79 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]acetamide is sourced from PubChem (CID 30219848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).