N-(4,5-dimethoxy-2-methylphenyl)-1-(1-methoxycyclobutyl)methanesulfonamide

C15H23NO5S — CID 126824105

IUPACN-(4,5-dimethoxy-2-methylphenyl)-1-(1-methoxycyclobutyl)methanesulfonamide
SMILESCOc1cc(C)c(NS(=O)(=O)CC2(OC)CCC2)cc1OC
InChIInChI=1S/C15H23NO5S/c1-11-8-13(19-2)14(20-3)9-12(11)16-22(17,18)10-15(21-4)6-5-7-15/h8-9,16H,5-7,10H2,1-4H3
InChIKeyYILCYNCANKEZNI-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.32
Rot. Bonds7

About N-(4,5-dimethoxy-2-methylphenyl)-1-(1-methoxycyclobutyl)methanesulfonamide

N-(4,5-dimethoxy-2-methylphenyl)-1-(1-methoxycyclobutyl)methanesulfonamide (PubChem CID 126824105) has the molecular formula C15H23NO5S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-methylphenyl)-1-(1-methoxycyclobutyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-methylphenyl)-1-(1-methoxycyclobutyl)methanesulfonamide
PubChem CID126824105
Molecular FormulaC15H23NO5S
Molecular Weight329.42 g/mol
Exact Mass329.13
IUPAC NameN-(4,5-dimethoxy-2-methylphenyl)-1-(1-methoxycyclobutyl)methanesulfonamide
SMILESCOc1cc(C)c(NS(=O)(=O)CC2(OC)CCC2)cc1OC
InChIInChI=1S/C15H23NO5S/c1-11-8-13(19-2)14(20-3)9-12(11)16-22(17,18)10-15(21-4)6-5-7-15/h8-9,16H,5-7,10H2,1-4H3
InChIKeyYILCYNCANKEZNI-UHFFFAOYSA-N
XLogP2.32
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-1-(1-methoxycyclobutyl)methanesulfonamide?
The IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-1-(1-methoxycyclobutyl)methanesulfonamide (CID 126824105) is N-(4,5-dimethoxy-2-methylphenyl)-1-(1-methoxycyclobutyl)methanesulfonamide.
What is the SMILES notation for N-(4,5-dimethoxy-2-methylphenyl)-1-(1-methoxycyclobutyl)methanesulfonamide?
The canonical SMILES for N-(4,5-dimethoxy-2-methylphenyl)-1-(1-methoxycyclobutyl)methanesulfonamide is COc1cc(C)c(NS(=O)(=O)CC2(OC)CCC2)cc1OC.
What is the InChIKey of N-(4,5-dimethoxy-2-methylphenyl)-1-(1-methoxycyclobutyl)methanesulfonamide?
The InChIKey is YILCYNCANKEZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5S/c1-11-8-13(19-2)14(20-3)9-12(11)16-22(17,18)10-15(21-4)6-5-7-15/h8-9,16H,5-7,10H2,1-4H3.
What are the key properties of N-(4,5-dimethoxy-2-methylphenyl)-1-(1-methoxycyclobutyl)methanesulfonamide?
N-(4,5-dimethoxy-2-methylphenyl)-1-(1-methoxycyclobutyl)methanesulfonamide has a molecular weight of 329.42 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-methylphenyl)-1-(1-methoxycyclobutyl)methanesulfonamide is sourced from PubChem (CID 126824105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).