2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide

C21H25N5O5S2 — CID 30274087

IUPAC2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(N(CC(=O)NCc2ccc(-n3ccnc3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H25N5O5S2/c1-24(2)33(30,31)20-10-8-19(9-11-20)26(32(3,28)29)15-21(27)23-14-17-4-6-18(7-5-17)25-13-12-22-16-25/h4-13,16H,14-15H2,1-3H3,(H,23,27)
InChIKeyPQAQZQZLSSEOQY-UHFFFAOYSA-N
MW491.60 g/mol
LogP1.21
Rot. Bonds9

About 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide

2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide (PubChem CID 30274087) has the molecular formula C21H25N5O5S2 and a molecular weight of 491.60 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
PubChem CID30274087
Molecular FormulaC21H25N5O5S2
Molecular Weight491.60 g/mol
Exact Mass491.13
IUPAC Name2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(N(CC(=O)NCc2ccc(-n3ccnc3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H25N5O5S2/c1-24(2)33(30,31)20-10-8-19(9-11-20)26(32(3,28)29)15-21(27)23-14-17-4-6-18(7-5-17)25-13-12-22-16-25/h4-13,16H,14-15H2,1-3H3,(H,23,27)
InChIKeyPQAQZQZLSSEOQY-UHFFFAOYSA-N
XLogP1.21
TPSA121.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.60
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 92678156
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 38001939
N-[(4-imidazol-1-ylphenyl)methyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 92681992
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 30303835
N-[(4-imidazol-1-ylphenyl)methyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 46772606
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 30304666
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 28636998
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 46772726
N-[(4-imidazol-1-ylphenyl)methyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28580232
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 30307008
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 30306242
2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 43909106

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide (CID 30274087) is 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide is CN(C)S(=O)(=O)c1ccc(N(CC(=O)NCc2ccc(-n3ccnc3)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide?
The InChIKey is PQAQZQZLSSEOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O5S2/c1-24(2)33(30,31)20-10-8-19(9-11-20)26(32(3,28)29)15-21(27)23-14-17-4-6-18(7-5-17)25-13-12-22-16-25/h4-13,16H,14-15H2,1-3H3,(H,23,27).
What are the key properties of 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide?
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide has a molecular weight of 491.60 g/mol, XLogP of 1.21, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 30274087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).