N-(2-ethoxyphenyl)-2-[4-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfonylacetamide

C26H25N3O4S — CID 22423002

IUPACN-(2-ethoxyphenyl)-2-[4-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfonylacetamide
SMILESCCOc1ccccc1NC(=O)CS(=O)(=O)c1nc(-c2ccc(C)cc2)cn1-c1ccccc1
InChIInChI=1S/C26H25N3O4S/c1-3-33-24-12-8-7-11-22(24)27-25(30)18-34(31,32)26-28-23(20-15-13-19(2)14-16-20)17-29(26)21-9-5-4-6-10-21/h4-17H,3,18H2,1-2H3,(H,27,30)
InChIKeyRKJOPJHBHIQJIV-UHFFFAOYSA-N
MW475.57 g/mol
LogP4.66
Rot. Bonds8

About N-(2-ethoxyphenyl)-2-[4-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfonylacetamide

N-(2-ethoxyphenyl)-2-[4-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfonylacetamide (PubChem CID 22423002) has the molecular formula C26H25N3O4S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[4-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfonylacetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[4-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfonylacetamide
PubChem CID22423002
Molecular FormulaC26H25N3O4S
Molecular Weight475.57 g/mol
Exact Mass475.16
IUPAC NameN-(2-ethoxyphenyl)-2-[4-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfonylacetamide
SMILESCCOc1ccccc1NC(=O)CS(=O)(=O)c1nc(-c2ccc(C)cc2)cn1-c1ccccc1
InChIInChI=1S/C26H25N3O4S/c1-3-33-24-12-8-7-11-22(24)27-25(30)18-34(31,32)26-28-23(20-15-13-19(2)14-16-20)17-29(26)21-9-5-4-6-10-21/h4-17H,3,18H2,1-2H3,(H,27,30)
InChIKeyRKJOPJHBHIQJIV-UHFFFAOYSA-N
XLogP4.66
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(2-ethoxyphenyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
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2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
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N-(2-ethoxyphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[4-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfonylacetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[4-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfonylacetamide (CID 22423002) is N-(2-ethoxyphenyl)-2-[4-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfonylacetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[4-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfonylacetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[4-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfonylacetamide is CCOc1ccccc1NC(=O)CS(=O)(=O)c1nc(-c2ccc(C)cc2)cn1-c1ccccc1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[4-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfonylacetamide?
The InChIKey is RKJOPJHBHIQJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4S/c1-3-33-24-12-8-7-11-22(24)27-25(30)18-34(31,32)26-28-23(20-15-13-19(2)14-16-20)17-29(26)21-9-5-4-6-10-21/h4-17H,3,18H2,1-2H3,(H,27,30).
What are the key properties of N-(2-ethoxyphenyl)-2-[4-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfonylacetamide?
N-(2-ethoxyphenyl)-2-[4-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfonylacetamide has a molecular weight of 475.57 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[4-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfonylacetamide is sourced from PubChem (CID 22423002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).