N-[4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide

C21H20N4O4S — CID 155528355

IUPACN-[4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide
SMILESCOc1ccc2c(c1)c(-c1nc(NC(C)=O)[nH]c1C)cn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H20N4O4S/c1-13-20(24-21(22-13)23-14(2)26)18-12-25(19-10-9-15(29-3)11-17(18)19)30(27,28)16-7-5-4-6-8-16/h4-12H,1-3H3,(H2,22,23,24,26)
InChIKeyXYNYMXQRUAZXOH-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.54
Rot. Bonds5

About N-[4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide

N-[4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide (PubChem CID 155528355) has the molecular formula C21H20N4O4S and a molecular weight of 424.48 g/mol. Its IUPAC name is N-[4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide
PubChem CID155528355
Molecular FormulaC21H20N4O4S
Molecular Weight424.48 g/mol
Exact Mass424.12
IUPAC NameN-[4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide
SMILESCOc1ccc2c(c1)c(-c1nc(NC(C)=O)[nH]c1C)cn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H20N4O4S/c1-13-20(24-21(22-13)23-14(2)26)18-12-25(19-10-9-15(29-3)11-17(18)19)30(27,28)16-7-5-4-6-8-16/h4-12H,1-3H3,(H2,22,23,24,26)
InChIKeyXYNYMXQRUAZXOH-UHFFFAOYSA-N
XLogP3.54
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide?
The IUPAC name of N-[4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide (CID 155528355) is N-[4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide?
The canonical SMILES for N-[4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide is COc1ccc2c(c1)c(-c1nc(NC(C)=O)[nH]c1C)cn2S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide?
The InChIKey is XYNYMXQRUAZXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4S/c1-13-20(24-21(22-13)23-14(2)26)18-12-25(19-10-9-15(29-3)11-17(18)19)30(27,28)16-7-5-4-6-8-16/h4-12H,1-3H3,(H2,22,23,24,26).
What are the key properties of N-[4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide?
N-[4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide has a molecular weight of 424.48 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide is sourced from PubChem (CID 155528355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).