N-[(2-imidazol-1-ylphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide

C26H26N4O4S — CID 92679723

IUPACN-[(2-imidazol-1-ylphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2ccnc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H26N4O4S/c1-20-7-9-22(10-8-20)30(35(32,33)24-13-11-23(34-2)12-14-24)18-26(31)28-17-21-5-3-4-6-25(21)29-16-15-27-19-29/h3-16,19H,17-18H2,1-2H3,(H,28,31)
InChIKeyOEUUQFFLYJPNGM-UHFFFAOYSA-N
MW490.59 g/mol
LogP3.70
Rot. Bonds9

About N-[(2-imidazol-1-ylphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide

N-[(2-imidazol-1-ylphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide (PubChem CID 92679723) has the molecular formula C26H26N4O4S and a molecular weight of 490.59 g/mol. Its IUPAC name is N-[(2-imidazol-1-ylphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(2-imidazol-1-ylphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
PubChem CID92679723
Molecular FormulaC26H26N4O4S
Molecular Weight490.59 g/mol
Exact Mass490.17
IUPAC NameN-[(2-imidazol-1-ylphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2ccnc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H26N4O4S/c1-20-7-9-22(10-8-20)30(35(32,33)24-13-11-23(34-2)12-14-24)18-26(31)28-17-21-5-3-4-6-25(21)29-16-15-27-19-29/h3-16,19H,17-18H2,1-2H3,(H,28,31)
InChIKeyOEUUQFFLYJPNGM-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-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 30307161
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 92685437
2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 1324576
N-[(2-fluorophenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 53280530
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 30303585
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305918
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 46778185
N-[(2-imidazol-1-ylphenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 92680681
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 2231836
N-[(2-imidazol-1-ylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 132610553
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 99958980
N-[(4-imidazol-1-ylphenyl)methyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28580232

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide?
The IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide (CID 92679723) is N-[(2-imidazol-1-ylphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide.
What is the SMILES notation for N-[(2-imidazol-1-ylphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide?
The canonical SMILES for N-[(2-imidazol-1-ylphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2ccnc2)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(2-imidazol-1-ylphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide?
The InChIKey is OEUUQFFLYJPNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4S/c1-20-7-9-22(10-8-20)30(35(32,33)24-13-11-23(34-2)12-14-24)18-26(31)28-17-21-5-3-4-6-25(21)29-16-15-27-19-29/h3-16,19H,17-18H2,1-2H3,(H,28,31).
What are the key properties of N-[(2-imidazol-1-ylphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide?
N-[(2-imidazol-1-ylphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)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-[(2-imidazol-1-ylphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide is sourced from PubChem (CID 92679723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).