N-[2-[[1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)cyclopropyl]methyl]phenyl]-1-methylimidazole-4-sulfonamide

C25H33N3O5S — CID 67675305

IUPACN-[2-[[1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)cyclopropyl]methyl]phenyl]-1-methylimidazole-4-sulfonamide
SMILESCCCC1(CCC)CC(O)=C(C2(Cc3ccccc3NS(=O)(=O)c3cn(C)cn3)CC2)C(=O)O1
InChIInChI=1S/C25H33N3O5S/c1-4-10-25(11-5-2)15-20(29)22(23(30)33-25)24(12-13-24)14-18-8-6-7-9-19(18)27-34(31,32)21-16-28(3)17-26-21/h6-9,16-17,27,29H,4-5,10-15H2,1-3H3
InChIKeyYEAAIIBRZHETGK-UHFFFAOYSA-N
MW487.62 g/mol
LogP4.64
Rot. Bonds10

About N-[2-[[1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)cyclopropyl]methyl]phenyl]-1-methylimidazole-4-sulfonamide

N-[2-[[1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)cyclopropyl]methyl]phenyl]-1-methylimidazole-4-sulfonamide (PubChem CID 67675305) has the molecular formula C25H33N3O5S and a molecular weight of 487.62 g/mol. Its IUPAC name is N-[2-[[1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)cyclopropyl]methyl]phenyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[[1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)cyclopropyl]methyl]phenyl]-1-methylimidazole-4-sulfonamide
PubChem CID67675305
Molecular FormulaC25H33N3O5S
Molecular Weight487.62 g/mol
Exact Mass487.21
IUPAC NameN-[2-[[1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)cyclopropyl]methyl]phenyl]-1-methylimidazole-4-sulfonamide
SMILESCCCC1(CCC)CC(O)=C(C2(Cc3ccccc3NS(=O)(=O)c3cn(C)cn3)CC2)C(=O)O1
InChIInChI=1S/C25H33N3O5S/c1-4-10-25(11-5-2)15-20(29)22(23(30)33-25)24(12-13-24)14-18-8-6-7-9-19(18)27-34(31,32)21-16-28(3)17-26-21/h6-9,16-17,27,29H,4-5,10-15H2,1-3H3
InChIKeyYEAAIIBRZHETGK-UHFFFAOYSA-N
XLogP4.64
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.62
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[[1-[4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]cyclopropyl]methyl]phenyl]-1-methylimidazole-4-sulfonamide
CID 54688025
1-methyl-N-[2-(methylaminomethyl)phenyl]imidazole-4-sulfonamide
CID 55068374
N-[3-[(1R)-1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)-2,2-dimethylpropyl]phenyl]-1-methylimidazole-4-sulfonamide
CID 70080641
4-fluoro-N-[3-[[1-[4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]cyclopropyl]methyl]phenyl]benzenesulfonamide
CID 54688023
2-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl fluoride
CID 116814330
N-(4-bromo-2-hydroxyphenyl)-1-methylimidazole-4-sulfonamide
CID 71927149
N-[2-(3-aminoprop-1-ynyl)phenyl]-1-methylimidazole-4-sulfonamide
CID 62375470
1-methyl-N-(4-phenylphenyl)imidazole-4-sulfonamide
CID 46897915
N-(2-hydroxy-5-methylphenyl)-1-methylimidazole-4-sulfonamide
CID 55068186
N-[3-(2-ethoxy-3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide
CID 122642856
N-[3-[1-[2,4-dioxo-6,6-bis(2-phenylethyl)oxan-3-yl]-2,2-dimethylpropyl]phenyl]-1-methylimidazole-4-sulfonamide
CID 57277440
N-(4-hydroxy-2,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide
CID 106831921

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)cyclopropyl]methyl]phenyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[2-[[1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)cyclopropyl]methyl]phenyl]-1-methylimidazole-4-sulfonamide (CID 67675305) is N-[2-[[1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)cyclopropyl]methyl]phenyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[2-[[1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)cyclopropyl]methyl]phenyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[2-[[1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)cyclopropyl]methyl]phenyl]-1-methylimidazole-4-sulfonamide is CCCC1(CCC)CC(O)=C(C2(Cc3ccccc3NS(=O)(=O)c3cn(C)cn3)CC2)C(=O)O1.
What is the InChIKey of N-[2-[[1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)cyclopropyl]methyl]phenyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is YEAAIIBRZHETGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O5S/c1-4-10-25(11-5-2)15-20(29)22(23(30)33-25)24(12-13-24)14-18-8-6-7-9-19(18)27-34(31,32)21-16-28(3)17-26-21/h6-9,16-17,27,29H,4-5,10-15H2,1-3H3.
What are the key properties of N-[2-[[1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)cyclopropyl]methyl]phenyl]-1-methylimidazole-4-sulfonamide?
N-[2-[[1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)cyclopropyl]methyl]phenyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 487.62 g/mol, XLogP of 4.64, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)cyclopropyl]methyl]phenyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 67675305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).