1-benzyl-N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-3-pyridinyl]-2-methylimidazole-4-sulfonamide

C22H24N4O4S — CID 135397764

IUPAC1-benzyl-N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-3-pyridinyl]-2-methylimidazole-4-sulfonamide
SMILESCOc1ncc(C2=CCOCC2)cc1NS(=O)(=O)c1cn(Cc2ccccc2)c(C)n1
InChIInChI=1S/C22H24N4O4S/c1-16-24-21(15-26(16)14-17-6-4-3-5-7-17)31(27,28)25-20-12-19(13-23-22(20)29-2)18-8-10-30-11-9-18/h3-8,12-13,15,25H,9-11,14H2,1-2H3
InChIKeyHEYCQGPIBKDOSR-UHFFFAOYSA-N
MW440.53 g/mol
LogP3.25
Rot. Bonds7

About 1-benzyl-N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-3-pyridinyl]-2-methylimidazole-4-sulfonamide

1-benzyl-N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-3-pyridinyl]-2-methylimidazole-4-sulfonamide (PubChem CID 135397764) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is 1-benzyl-N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-3-pyridinyl]-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-benzyl-N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-3-pyridinyl]-2-methylimidazole-4-sulfonamide
PubChem CID135397764
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Name1-benzyl-N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-3-pyridinyl]-2-methylimidazole-4-sulfonamide
SMILESCOc1ncc(C2=CCOCC2)cc1NS(=O)(=O)c1cn(Cc2ccccc2)c(C)n1
InChIInChI=1S/C22H24N4O4S/c1-16-24-21(15-26(16)14-17-6-4-3-5-7-17)31(27,28)25-20-12-19(13-23-22(20)29-2)18-8-10-30-11-9-18/h3-8,12-13,15,25H,9-11,14H2,1-2H3
InChIKeyHEYCQGPIBKDOSR-UHFFFAOYSA-N
XLogP3.25
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-benzyl-N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-3-pyridinyl]-2-methylimidazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-3-pyridinyl]-2-methylimidazole-4-sulfonamide?
The IUPAC name of 1-benzyl-N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-3-pyridinyl]-2-methylimidazole-4-sulfonamide (CID 135397764) is 1-benzyl-N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-3-pyridinyl]-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for 1-benzyl-N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-3-pyridinyl]-2-methylimidazole-4-sulfonamide?
The canonical SMILES for 1-benzyl-N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-3-pyridinyl]-2-methylimidazole-4-sulfonamide is COc1ncc(C2=CCOCC2)cc1NS(=O)(=O)c1cn(Cc2ccccc2)c(C)n1.
What is the InChIKey of 1-benzyl-N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-3-pyridinyl]-2-methylimidazole-4-sulfonamide?
The InChIKey is HEYCQGPIBKDOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-16-24-21(15-26(16)14-17-6-4-3-5-7-17)31(27,28)25-20-12-19(13-23-22(20)29-2)18-8-10-30-11-9-18/h3-8,12-13,15,25H,9-11,14H2,1-2H3.
What are the key properties of 1-benzyl-N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-3-pyridinyl]-2-methylimidazole-4-sulfonamide?
1-benzyl-N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-3-pyridinyl]-2-methylimidazole-4-sulfonamide has a molecular weight of 440.53 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-3-pyridinyl]-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 135397764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).