2-(4-bromo-2-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

C19H22BrN3O3S — CID 46797807

IUPAC2-(4-bromo-2-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCc1cc(Br)ccc1NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C19H22BrN3O3S/c1-14-11-15(20)7-8-18(14)21-13-19(24)22-16-5-4-6-17(12-16)27(25,26)23-9-2-3-10-23/h4-8,11-12,21H,2-3,9-10,13H2,1H3,(H,22,24)
InChIKeyRNLKKOOYRVQDLA-UHFFFAOYSA-N
MW452.37 g/mol
LogP3.59
Rot. Bonds6

About 2-(4-bromo-2-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(4-bromo-2-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 46797807) has the molecular formula C19H22BrN3O3S and a molecular weight of 452.37 g/mol. Its IUPAC name is 2-(4-bromo-2-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID46797807
Molecular FormulaC19H22BrN3O3S
Molecular Weight452.37 g/mol
Exact Mass451.06
IUPAC Name2-(4-bromo-2-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCc1cc(Br)ccc1NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C19H22BrN3O3S/c1-14-11-15(20)7-8-18(14)21-13-19(24)22-16-5-4-6-17(12-16)27(25,26)23-9-2-3-10-23/h4-8,11-12,21H,2-3,9-10,13H2,1H3,(H,22,24)
InChIKeyRNLKKOOYRVQDLA-UHFFFAOYSA-N
XLogP3.59
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.37
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9098739
N-(3-chloro-4-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083457
N-(4-bromophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 26438440
N-(3-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 42996600
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 16553103
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8614711
N-(4-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083492
2-[(4-bromophenyl)methylsulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 112781729
(3S)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 9073638
2-(4-bromo-2-fluoro-N-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 60585244
N-(3-cyanophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083464

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 46797807) is 2-(4-bromo-2-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is Cc1cc(Br)ccc1NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 2-(4-bromo-2-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is RNLKKOOYRVQDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O3S/c1-14-11-15(20)7-8-18(14)21-13-19(24)22-16-5-4-6-17(12-16)27(25,26)23-9-2-3-10-23/h4-8,11-12,21H,2-3,9-10,13H2,1H3,(H,22,24).
What are the key properties of 2-(4-bromo-2-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(4-bromo-2-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 452.37 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 46797807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).