N-[[3-benzyl-2-[(4-methylphenyl)methylsulfonyl]imidazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide

C26H31N3O4S — CID 83287531

IUPACN-[[3-benzyl-2-[(4-methylphenyl)methylsulfonyl]imidazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide
SMILESCOCCN(Cc1cnc(S(=O)(=O)Cc2ccc(C)cc2)n1Cc1ccccc1)C(=O)C1CC1
InChIInChI=1S/C26H31N3O4S/c1-20-8-10-22(11-9-20)19-34(31,32)26-27-16-24(29(26)17-21-6-4-3-5-7-21)18-28(14-15-33-2)25(30)23-12-13-23/h3-11,16,23H,12-15,17-19H2,1-2H3
InChIKeyAIEFGGZSQFUVEF-UHFFFAOYSA-N
MW481.62 g/mol
LogP3.60
Rot. Bonds11

About N-[[3-benzyl-2-[(4-methylphenyl)methylsulfonyl]imidazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide

N-[[3-benzyl-2-[(4-methylphenyl)methylsulfonyl]imidazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide (PubChem CID 83287531) has the molecular formula C26H31N3O4S and a molecular weight of 481.62 g/mol. Its IUPAC name is N-[[3-benzyl-2-[(4-methylphenyl)methylsulfonyl]imidazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[3-benzyl-2-[(4-methylphenyl)methylsulfonyl]imidazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide
PubChem CID83287531
Molecular FormulaC26H31N3O4S
Molecular Weight481.62 g/mol
Exact Mass481.20
IUPAC NameN-[[3-benzyl-2-[(4-methylphenyl)methylsulfonyl]imidazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide
SMILESCOCCN(Cc1cnc(S(=O)(=O)Cc2ccc(C)cc2)n1Cc1ccccc1)C(=O)C1CC1
InChIInChI=1S/C26H31N3O4S/c1-20-8-10-22(11-9-20)19-34(31,32)26-27-16-24(29(26)17-21-6-4-3-5-7-21)18-28(14-15-33-2)25(30)23-12-13-23/h3-11,16,23H,12-15,17-19H2,1-2H3
InChIKeyAIEFGGZSQFUVEF-UHFFFAOYSA-N
XLogP3.60
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-benzyl-2-[(4-methylphenyl)methylsulfonyl]imidazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide?
The IUPAC name of N-[[3-benzyl-2-[(4-methylphenyl)methylsulfonyl]imidazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide (CID 83287531) is N-[[3-benzyl-2-[(4-methylphenyl)methylsulfonyl]imidazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide.
What is the SMILES notation for N-[[3-benzyl-2-[(4-methylphenyl)methylsulfonyl]imidazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide?
The canonical SMILES for N-[[3-benzyl-2-[(4-methylphenyl)methylsulfonyl]imidazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide is COCCN(Cc1cnc(S(=O)(=O)Cc2ccc(C)cc2)n1Cc1ccccc1)C(=O)C1CC1.
What is the InChIKey of N-[[3-benzyl-2-[(4-methylphenyl)methylsulfonyl]imidazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide?
The InChIKey is AIEFGGZSQFUVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4S/c1-20-8-10-22(11-9-20)19-34(31,32)26-27-16-24(29(26)17-21-6-4-3-5-7-21)18-28(14-15-33-2)25(30)23-12-13-23/h3-11,16,23H,12-15,17-19H2,1-2H3.
What are the key properties of N-[[3-benzyl-2-[(4-methylphenyl)methylsulfonyl]imidazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide?
N-[[3-benzyl-2-[(4-methylphenyl)methylsulfonyl]imidazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide has a molecular weight of 481.62 g/mol, XLogP of 3.60, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-benzyl-2-[(4-methylphenyl)methylsulfonyl]imidazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide is sourced from PubChem (CID 83287531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).