N-[5-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]-2-methoxyphenyl]methanesulfonamide

C18H20N4O3S — CID 70723264

IUPACN-[5-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]-2-methoxyphenyl]methanesulfonamide
SMILESCCc1ccc(-c2nccn2-c2ccc(OC)c(NS(C)(=O)=O)c2)nc1
InChIInChI=1S/C18H20N4O3S/c1-4-13-5-7-15(20-12-13)18-19-9-10-22(18)14-6-8-17(25-2)16(11-14)21-26(3,23)24/h5-12,21H,4H2,1-3H3
InChIKeyJKYBEKDPXYEXJV-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.88
Rot. Bonds6

About N-[5-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]-2-methoxyphenyl]methanesulfonamide

N-[5-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]-2-methoxyphenyl]methanesulfonamide (PubChem CID 70723264) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[5-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]-2-methoxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]-2-methoxyphenyl]methanesulfonamide
PubChem CID70723264
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-[5-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]-2-methoxyphenyl]methanesulfonamide
SMILESCCc1ccc(-c2nccn2-c2ccc(OC)c(NS(C)(=O)=O)c2)nc1
InChIInChI=1S/C18H20N4O3S/c1-4-13-5-7-15(20-12-13)18-19-9-10-22(18)14-6-8-17(25-2)16(11-14)21-26(3,23)24/h5-12,21H,4H2,1-3H3
InChIKeyJKYBEKDPXYEXJV-UHFFFAOYSA-N
XLogP2.88
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]-2-methoxyphenyl]methanesulfonamide?
The IUPAC name of N-[5-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]-2-methoxyphenyl]methanesulfonamide (CID 70723264) is N-[5-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]-2-methoxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[5-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]-2-methoxyphenyl]methanesulfonamide?
The canonical SMILES for N-[5-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]-2-methoxyphenyl]methanesulfonamide is CCc1ccc(-c2nccn2-c2ccc(OC)c(NS(C)(=O)=O)c2)nc1.
What is the InChIKey of N-[5-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]-2-methoxyphenyl]methanesulfonamide?
The InChIKey is JKYBEKDPXYEXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-4-13-5-7-15(20-12-13)18-19-9-10-22(18)14-6-8-17(25-2)16(11-14)21-26(3,23)24/h5-12,21H,4H2,1-3H3.
What are the key properties of N-[5-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]-2-methoxyphenyl]methanesulfonamide?
N-[5-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]-2-methoxyphenyl]methanesulfonamide has a molecular weight of 372.45 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]-2-methoxyphenyl]methanesulfonamide is sourced from PubChem (CID 70723264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).