N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide

C19H21N3O3S — CID 67702026

IUPACN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCOc1cc(NS(=O)(=O)Cc2ccc(C)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C19H21N3O3S/c1-14-4-6-16(7-5-14)12-26(23,24)21-17-8-9-18(19(10-17)25-3)22-11-15(2)20-13-22/h4-11,13,21H,12H2,1-3H3
InChIKeyFXGHOIXRZMZBKN-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.44
Rot. Bonds6

About N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide

N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide (PubChem CID 67702026) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide
PubChem CID67702026
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCOc1cc(NS(=O)(=O)Cc2ccc(C)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C19H21N3O3S/c1-14-4-6-16(7-5-14)12-26(23,24)21-17-8-9-18(19(10-17)25-3)22-11-15(2)20-13-22/h4-11,13,21H,12H2,1-3H3
InChIKeyFXGHOIXRZMZBKN-UHFFFAOYSA-N
XLogP3.44
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide?
The IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide (CID 67702026) is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide is COc1cc(NS(=O)(=O)Cc2ccc(C)cc2)ccc1-n1cnc(C)c1.
What is the InChIKey of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide?
The InChIKey is FXGHOIXRZMZBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-14-4-6-16(7-5-14)12-26(23,24)21-17-8-9-18(19(10-17)25-3)22-11-15(2)20-13-22/h4-11,13,21H,12H2,1-3H3.
What are the key properties of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide?
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide has a molecular weight of 371.46 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 67702026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).