N-[2-butoxy-5-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide

C15H23N3O4S — CID 71146453

IUPACN-[2-butoxy-5-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide
SMILESCCCCOc1ccc(OCC2=NCCN2)cc1NS(C)(=O)=O
InChIInChI=1S/C15H23N3O4S/c1-3-4-9-21-14-6-5-12(10-13(14)18-23(2,19)20)22-11-15-16-7-8-17-15/h5-6,10,18H,3-4,7-9,11H2,1-2H3,(H,16,17)
InChIKeyIOWQFFCAXNZHRM-UHFFFAOYSA-N
MW341.43 g/mol
LogP1.62
Rot. Bonds9

About N-[2-butoxy-5-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide

N-[2-butoxy-5-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide (PubChem CID 71146453) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[2-butoxy-5-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-butoxy-5-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide
PubChem CID71146453
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC NameN-[2-butoxy-5-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide
SMILESCCCCOc1ccc(OCC2=NCCN2)cc1NS(C)(=O)=O
InChIInChI=1S/C15H23N3O4S/c1-3-4-9-21-14-6-5-12(10-13(14)18-23(2,19)20)22-11-15-16-7-8-17-15/h5-6,10,18H,3-4,7-9,11H2,1-2H3,(H,16,17)
InChIKeyIOWQFFCAXNZHRM-UHFFFAOYSA-N
XLogP1.62
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-butoxy-5-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide?
The IUPAC name of N-[2-butoxy-5-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide (CID 71146453) is N-[2-butoxy-5-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-butoxy-5-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-butoxy-5-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide is CCCCOc1ccc(OCC2=NCCN2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[2-butoxy-5-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide?
The InChIKey is IOWQFFCAXNZHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-3-4-9-21-14-6-5-12(10-13(14)18-23(2,19)20)22-11-15-16-7-8-17-15/h5-6,10,18H,3-4,7-9,11H2,1-2H3,(H,16,17).
What are the key properties of N-[2-butoxy-5-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide?
N-[2-butoxy-5-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide has a molecular weight of 341.43 g/mol, XLogP of 1.62, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-butoxy-5-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide is sourced from PubChem (CID 71146453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).