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

C24H25N5O3S — CID 25212177

IUPACN-(6-methoxy-3-pyridinyl)-1,2-dimethyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]imidazole-4-sulfonamide
SMILESCOc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2cn(C)c(C)n2)cn1
InChIInChI=1S/C24H25N5O3S/c1-17-7-5-6-8-22(17)19-9-10-20(25-13-19)15-29(21-11-12-23(32-4)26-14-21)33(30,31)24-16-28(3)18(2)27-24/h5-14,16H,15H2,1-4H3
InChIKeyGNURBBYUBWBREM-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.90
Rot. Bonds7

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

N-(6-methoxy-3-pyridinyl)-1,2-dimethyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]imidazole-4-sulfonamide (PubChem CID 25212177) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-1,2-dimethyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-1,2-dimethyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]imidazole-4-sulfonamide
PubChem CID25212177
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC NameN-(6-methoxy-3-pyridinyl)-1,2-dimethyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]imidazole-4-sulfonamide
SMILESCOc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2cn(C)c(C)n2)cn1
InChIInChI=1S/C24H25N5O3S/c1-17-7-5-6-8-22(17)19-9-10-20(25-13-19)15-29(21-11-12-23(32-4)26-14-21)33(30,31)24-16-28(3)18(2)27-24/h5-14,16H,15H2,1-4H3
InChIKeyGNURBBYUBWBREM-UHFFFAOYSA-N
XLogP3.90
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.90
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)-1,2-dimethyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]imidazole-4-sulfonamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-1,2-dimethyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]imidazole-4-sulfonamide (CID 25212177) is N-(6-methoxy-3-pyridinyl)-1,2-dimethyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]imidazole-4-sulfonamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-1,2-dimethyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]imidazole-4-sulfonamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-1,2-dimethyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]imidazole-4-sulfonamide is COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2cn(C)c(C)n2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-1,2-dimethyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]imidazole-4-sulfonamide?
The InChIKey is GNURBBYUBWBREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-17-7-5-6-8-22(17)19-9-10-20(25-13-19)15-29(21-11-12-23(32-4)26-14-21)33(30,31)24-16-28(3)18(2)27-24/h5-14,16H,15H2,1-4H3.
What are the key properties of N-(6-methoxy-3-pyridinyl)-1,2-dimethyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]imidazole-4-sulfonamide?
N-(6-methoxy-3-pyridinyl)-1,2-dimethyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]imidazole-4-sulfonamide has a molecular weight of 463.56 g/mol, XLogP of 3.90, 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)-1,2-dimethyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 25212177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).