N-(6-methoxy-3-pyridinyl)-1-methyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]imidazole-4-sulfonamide

C23H23N5O3S — CID 25212178

IUPACN-(6-methoxy-3-pyridinyl)-1-methyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]imidazole-4-sulfonamide
SMILESCOc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2cn(C)cn2)cn1
InChIInChI=1S/C23H23N5O3S/c1-17-6-4-5-7-21(17)18-8-9-19(24-12-18)14-28(20-10-11-22(31-3)25-13-20)32(29,30)23-15-27(2)16-26-23/h4-13,15-16H,14H2,1-3H3
InChIKeyOOTJIJWBKDCQFY-UHFFFAOYSA-N
MW449.54 g/mol
LogP3.59
Rot. Bonds7

About N-(6-methoxy-3-pyridinyl)-1-methyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]imidazole-4-sulfonamide

N-(6-methoxy-3-pyridinyl)-1-methyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]imidazole-4-sulfonamide (PubChem CID 25212178) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-1-methyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-1-methyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]imidazole-4-sulfonamide
PubChem CID25212178
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC NameN-(6-methoxy-3-pyridinyl)-1-methyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]imidazole-4-sulfonamide
SMILESCOc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2cn(C)cn2)cn1
InChIInChI=1S/C23H23N5O3S/c1-17-6-4-5-7-21(17)18-8-9-19(24-12-18)14-28(20-10-11-22(31-3)25-13-20)32(29,30)23-15-27(2)16-26-23/h4-13,15-16H,14H2,1-3H3
InChIKeyOOTJIJWBKDCQFY-UHFFFAOYSA-N
XLogP3.59
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-1-methyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]imidazole-4-sulfonamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-1-methyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]imidazole-4-sulfonamide (CID 25212178) is N-(6-methoxy-3-pyridinyl)-1-methyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]imidazole-4-sulfonamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-1-methyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]imidazole-4-sulfonamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-1-methyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]imidazole-4-sulfonamide is COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2cn(C)cn2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-1-methyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]imidazole-4-sulfonamide?
The InChIKey is OOTJIJWBKDCQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-17-6-4-5-7-21(17)18-8-9-19(24-12-18)14-28(20-10-11-22(31-3)25-13-20)32(29,30)23-15-27(2)16-26-23/h4-13,15-16H,14H2,1-3H3.
What are the key properties of N-(6-methoxy-3-pyridinyl)-1-methyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]imidazole-4-sulfonamide?
N-(6-methoxy-3-pyridinyl)-1-methyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]imidazole-4-sulfonamide has a molecular weight of 449.54 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-1-methyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 25212178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).