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

C27H28N4O3S — CID 30306242

IUPAC2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
SMILESCCc1ccccc1N(CC(=O)NCc1ccc(-n2ccnc2)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C27H28N4O3S/c1-3-23-6-4-5-7-26(23)31(35(33,34)25-14-8-21(2)9-15-25)19-27(32)29-18-22-10-12-24(13-11-22)30-17-16-28-20-30/h4-17,20H,3,18-19H2,1-2H3,(H,29,32)
InChIKeyJJEDKJZBJXUCDI-UHFFFAOYSA-N
MW488.61 g/mol
LogP4.25
Rot. Bonds9

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

2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide (PubChem CID 30306242) has the molecular formula C27H28N4O3S and a molecular weight of 488.61 g/mol. Its IUPAC name is 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
PubChem CID30306242
Molecular FormulaC27H28N4O3S
Molecular Weight488.61 g/mol
Exact Mass488.19
IUPAC Name2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
SMILESCCc1ccccc1N(CC(=O)NCc1ccc(-n2ccnc2)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C27H28N4O3S/c1-3-23-6-4-5-7-26(23)31(35(33,34)25-14-8-21(2)9-15-25)19-27(32)29-18-22-10-12-24(13-11-22)30-17-16-28-20-30/h4-17,20H,3,18-19H2,1-2H3,(H,29,32)
InChIKeyJJEDKJZBJXUCDI-UHFFFAOYSA-N
XLogP4.25
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 30307008
N-[(4-imidazol-1-ylphenyl)methyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28580232
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 51343997
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 99939946
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 30303835
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 1337255
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 2897253
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 46772726
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-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 30274087
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-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide?
The IUPAC name of 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide (CID 30306242) is 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide is CCc1ccccc1N(CC(=O)NCc1ccc(-n2ccnc2)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide?
The InChIKey is JJEDKJZBJXUCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3S/c1-3-23-6-4-5-7-26(23)31(35(33,34)25-14-8-21(2)9-15-25)19-27(32)29-18-22-10-12-24(13-11-22)30-17-16-28-20-30/h4-17,20H,3,18-19H2,1-2H3,(H,29,32).
What are the key properties of 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide?
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide has a molecular weight of 488.61 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 30306242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).