N-[(4-imidazol-1-ylphenyl)methyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

C26H26N4O4S — CID 28580232

IUPACN-[(4-imidazol-1-ylphenyl)methyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)NCc1ccc(-n2ccnc2)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C26H26N4O4S/c1-20-7-13-23(14-8-20)35(32,33)30(24-5-3-4-6-25(24)34-2)18-26(31)28-17-21-9-11-22(12-10-21)29-16-15-27-19-29/h3-16,19H,17-18H2,1-2H3,(H,28,31)
InChIKeyWMSSJEBTALGACO-UHFFFAOYSA-N
MW490.59 g/mol
LogP3.70
Rot. Bonds9

About N-[(4-imidazol-1-ylphenyl)methyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

N-[(4-imidazol-1-ylphenyl)methyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 28580232) has the molecular formula C26H26N4O4S and a molecular weight of 490.59 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID28580232
Molecular FormulaC26H26N4O4S
Molecular Weight490.59 g/mol
Exact Mass490.17
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)NCc1ccc(-n2ccnc2)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C26H26N4O4S/c1-20-7-13-23(14-8-20)35(32,33)30(24-5-3-4-6-25(24)34-2)18-26(31)28-17-21-9-11-22(12-10-21)29-16-15-27-19-29/h3-16,19H,17-18H2,1-2H3,(H,28,31)
InChIKeyWMSSJEBTALGACO-UHFFFAOYSA-N
XLogP3.70
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-[(4-imidazol-1-ylphenyl)methyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 46772606
2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 43909106
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 30303835
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 30307161
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 99939946
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 99957374
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 46772726
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30243207
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 30304666
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 51344352

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 28580232) is N-[(4-imidazol-1-ylphenyl)methyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is COc1ccccc1N(CC(=O)NCc1ccc(-n2ccnc2)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is WMSSJEBTALGACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4S/c1-20-7-13-23(14-8-20)35(32,33)30(24-5-3-4-6-25(24)34-2)18-26(31)28-17-21-9-11-22(12-10-21)29-16-15-27-19-29/h3-16,19H,17-18H2,1-2H3,(H,28,31).
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-[(4-imidazol-1-ylphenyl)methyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 490.59 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-ylphenyl)methyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 28580232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).