2-(4-bromo-N-methylsulfonylanilino)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide

C20H21BrN4O3S — CID 92675154

IUPAC2-(4-bromo-N-methylsulfonylanilino)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
SMILESCc1nccn1-c1ccccc1CNC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O
InChIInChI=1S/C20H21BrN4O3S/c1-15-22-11-12-24(15)19-6-4-3-5-16(19)13-23-20(26)14-25(29(2,27)28)18-9-7-17(21)8-10-18/h3-12H,13-14H2,1-2H3,(H,23,26)
InChIKeyAPWFSZGREVODIR-UHFFFAOYSA-N
MW477.38 g/mol
LogP3.03
Rot. Bonds7

About 2-(4-bromo-N-methylsulfonylanilino)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide

2-(4-bromo-N-methylsulfonylanilino)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide (PubChem CID 92675154) has the molecular formula C20H21BrN4O3S and a molecular weight of 477.38 g/mol. Its IUPAC name is 2-(4-bromo-N-methylsulfonylanilino)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-N-methylsulfonylanilino)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
PubChem CID92675154
Molecular FormulaC20H21BrN4O3S
Molecular Weight477.38 g/mol
Exact Mass476.05
IUPAC Name2-(4-bromo-N-methylsulfonylanilino)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
SMILESCc1nccn1-c1ccccc1CNC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O
InChIInChI=1S/C20H21BrN4O3S/c1-15-22-11-12-24(15)19-6-4-3-5-16(19)13-23-20(26)14-25(29(2,27)28)18-9-7-17(21)8-10-18/h3-12H,13-14H2,1-2H3,(H,23,26)
InChIKeyAPWFSZGREVODIR-UHFFFAOYSA-N
XLogP3.03
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 28637079
2-(3-chloro-N-methylsulfonylanilino)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 92677663
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 99958072
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305918
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43908480
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 46778113
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 92673140
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 28578789
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43877067
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 48734949
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 30305069
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 99958980

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-N-methylsulfonylanilino)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-bromo-N-methylsulfonylanilino)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide (CID 92675154) is 2-(4-bromo-N-methylsulfonylanilino)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-bromo-N-methylsulfonylanilino)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-bromo-N-methylsulfonylanilino)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide is Cc1nccn1-c1ccccc1CNC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(4-bromo-N-methylsulfonylanilino)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide?
The InChIKey is APWFSZGREVODIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN4O3S/c1-15-22-11-12-24(15)19-6-4-3-5-16(19)13-23-20(26)14-25(29(2,27)28)18-9-7-17(21)8-10-18/h3-12H,13-14H2,1-2H3,(H,23,26).
What are the key properties of 2-(4-bromo-N-methylsulfonylanilino)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide?
2-(4-bromo-N-methylsulfonylanilino)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide has a molecular weight of 477.38 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-N-methylsulfonylanilino)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 92675154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).