(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)ethenesulfonamide

C24H23N3O3S — CID 25184551

IUPAC(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)ethenesulfonamide
SMILESCOc1cc(/C=C/S(=O)(=O)NCc2cccc3ccccc23)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H23N3O3S/c1-18-16-27(17-25-18)23-11-10-19(14-24(23)30-2)12-13-31(28,29)26-15-21-8-5-7-20-6-3-4-9-22(20)21/h3-14,16-17,26H,15H2,1-2H3/b13-12+
InChIKeyWSUHSASYGNVKRR-OUKQBFOZSA-N
MW433.53 g/mol
LogP4.43
Rot. Bonds7

About (E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)ethenesulfonamide

(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)ethenesulfonamide (PubChem CID 25184551) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is (E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)ethenesulfonamide
PubChem CID25184551
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)ethenesulfonamide
SMILESCOc1cc(/C=C/S(=O)(=O)NCc2cccc3ccccc23)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H23N3O3S/c1-18-16-27(17-25-18)23-11-10-19(14-24(23)30-2)12-13-31(28,29)26-15-21-8-5-7-20-6-3-4-9-22(20)21/h3-14,16-17,26H,15H2,1-2H3/b13-12+
InChIKeyWSUHSASYGNVKRR-OUKQBFOZSA-N
XLogP4.43
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-N-[(3,4-difluorophenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide
CID 25184482
(E)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide
CID 25184480
(2E)-N-ethyl-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-N-(naphthalen-1-ylmethyl)pentanamide
CID 70819941
(3E)-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1-(naphthalen-1-ylmethyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 162322182
2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3H-benzo[g]quinazolin-4-one
CID 136601982
(E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide
CID 68521034
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-methylprop-2-enamide
CID 142686276
(E)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;[5-[(E)-[1,1-dioxo-2-(1-phenylethyl)thiazinan-6-ylidene]methyl]-2-(4-methylimidazol-1-yl)phenyl]methanol;(E)-N-[(3-fluoro-5-methylphenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;(E)-N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;(6E)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-[(1R)-1-(4-methylphenyl)ethyl]thiazinane 1,1-dioxide;(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)ethenesulfonamide;(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenesulfonamide
CID 167635526
N-(2-fluoro-2-phenylethyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide
CID 66960853
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide
CID 66960110
3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-[(1S)-1-phenylethyl]-1H-1,2,4-triazole
CID 59299730
2-(2-ethylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
CID 67702345

Frequently Asked Questions

What is the IUPAC name of (E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)ethenesulfonamide?
The IUPAC name of (E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)ethenesulfonamide (CID 25184551) is (E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)ethenesulfonamide.
What is the SMILES notation for (E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)ethenesulfonamide?
The canonical SMILES for (E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)ethenesulfonamide is COc1cc(/C=C/S(=O)(=O)NCc2cccc3ccccc23)ccc1-n1cnc(C)c1.
What is the InChIKey of (E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)ethenesulfonamide?
The InChIKey is WSUHSASYGNVKRR-OUKQBFOZSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-18-16-27(17-25-18)23-11-10-19(14-24(23)30-2)12-13-31(28,29)26-15-21-8-5-7-20-6-3-4-9-22(20)21/h3-14,16-17,26H,15H2,1-2H3/b13-12+.
What are the key properties of (E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)ethenesulfonamide?
(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)ethenesulfonamide has a molecular weight of 433.53 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)ethenesulfonamide is sourced from PubChem (CID 25184551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).