N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]methanesulfonamide

C18H21N3O2S — CID 59364168

IUPACN-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]methanesulfonamide
SMILESCCN(c1ccc2cccc(C(C)c3cnc[nH]3)c2c1)S(C)(=O)=O
InChIInChI=1S/C18H21N3O2S/c1-4-21(24(3,22)23)15-9-8-14-6-5-7-16(17(14)10-15)13(2)18-11-19-12-20-18/h5-13H,4H2,1-3H3,(H,19,20)
InChIKeyHJBLQTQVKXVJFU-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.50
Rot. Bonds5

About N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]methanesulfonamide

N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]methanesulfonamide (PubChem CID 59364168) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]methanesulfonamide
PubChem CID59364168
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]methanesulfonamide
SMILESCCN(c1ccc2cccc(C(C)c3cnc[nH]3)c2c1)S(C)(=O)=O
InChIInChI=1S/C18H21N3O2S/c1-4-21(24(3,22)23)15-9-8-14-6-5-7-16(17(14)10-15)13(2)18-11-19-12-20-18/h5-13H,4H2,1-3H3,(H,19,20)
InChIKeyHJBLQTQVKXVJFU-UHFFFAOYSA-N
XLogP3.50
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]methanesulfonamide (CID 59364168) is N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]methanesulfonamide is CCN(c1ccc2cccc(C(C)c3cnc[nH]3)c2c1)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]methanesulfonamide?
The InChIKey is HJBLQTQVKXVJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-4-21(24(3,22)23)15-9-8-14-6-5-7-16(17(14)10-15)13(2)18-11-19-12-20-18/h5-13H,4H2,1-3H3,(H,19,20).
What are the key properties of N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]methanesulfonamide?
N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]methanesulfonamide has a molecular weight of 343.45 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]methanesulfonamide is sourced from PubChem (CID 59364168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).