N-[2-[2-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methoxy]ethoxy]ethyl]methanesulfonamide

C17H25N3O4S — CID 172505571

IUPACN-[2-[2-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methoxy]ethoxy]ethyl]methanesulfonamide
SMILESCc1cccc(C(OCCOCCNS(C)(=O)=O)c2cnc[nH]2)c1C
InChIInChI=1S/C17H25N3O4S/c1-13-5-4-6-15(14(13)2)17(16-11-18-12-19-16)24-10-9-23-8-7-20-25(3,21)22/h4-6,11-12,17,20H,7-10H2,1-3H3,(H,18,19)
InChIKeyPCOXTJIUXQJDKN-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.70
Rot. Bonds10

About N-[2-[2-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methoxy]ethoxy]ethyl]methanesulfonamide

N-[2-[2-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methoxy]ethoxy]ethyl]methanesulfonamide (PubChem CID 172505571) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[2-[2-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methoxy]ethoxy]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methoxy]ethoxy]ethyl]methanesulfonamide
PubChem CID172505571
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC NameN-[2-[2-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methoxy]ethoxy]ethyl]methanesulfonamide
SMILESCc1cccc(C(OCCOCCNS(C)(=O)=O)c2cnc[nH]2)c1C
InChIInChI=1S/C17H25N3O4S/c1-13-5-4-6-15(14(13)2)17(16-11-18-12-19-16)24-10-9-23-8-7-20-25(3,21)22/h4-6,11-12,17,20H,7-10H2,1-3H3,(H,18,19)
InChIKeyPCOXTJIUXQJDKN-UHFFFAOYSA-N
XLogP1.70
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methoxy]ethoxy]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[2-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methoxy]ethoxy]ethyl]methanesulfonamide (CID 172505571) is N-[2-[2-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methoxy]ethoxy]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methoxy]ethoxy]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methoxy]ethoxy]ethyl]methanesulfonamide is Cc1cccc(C(OCCOCCNS(C)(=O)=O)c2cnc[nH]2)c1C.
What is the InChIKey of N-[2-[2-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methoxy]ethoxy]ethyl]methanesulfonamide?
The InChIKey is PCOXTJIUXQJDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-13-5-4-6-15(14(13)2)17(16-11-18-12-19-16)24-10-9-23-8-7-20-25(3,21)22/h4-6,11-12,17,20H,7-10H2,1-3H3,(H,18,19).
What are the key properties of N-[2-[2-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methoxy]ethoxy]ethyl]methanesulfonamide?
N-[2-[2-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methoxy]ethoxy]ethyl]methanesulfonamide has a molecular weight of 367.47 g/mol, XLogP of 1.70, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methoxy]ethoxy]ethyl]methanesulfonamide is sourced from PubChem (CID 172505571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).