(E)-1-cyano-N-(2-methoxyethyl)-N-methyl-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]ethenesulfonamide

C25H27N3O5S — CID 156709090

IUPAC(E)-1-cyano-N-(2-methoxyethyl)-N-methyl-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]ethenesulfonamide
SMILESCOCCN(C)S(=O)(=O)/C(C#N)=C/c1ccc(-c2ccc3cc(N4CCOCC4)ccc3c2)o1
InChIInChI=1S/C25H27N3O5S/c1-27(9-12-31-2)34(29,30)24(18-26)17-23-7-8-25(33-23)21-4-3-20-16-22(6-5-19(20)15-21)28-10-13-32-14-11-28/h3-8,15-17H,9-14H2,1-2H3/b24-17+
InChIKeyQGWTVFMAVKIWMI-JJIBRWJFSA-N
MW481.57 g/mol
LogP3.71
Rot. Bonds8

About (E)-1-cyano-N-(2-methoxyethyl)-N-methyl-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]ethenesulfonamide

(E)-1-cyano-N-(2-methoxyethyl)-N-methyl-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]ethenesulfonamide (PubChem CID 156709090) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is (E)-1-cyano-N-(2-methoxyethyl)-N-methyl-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-1-cyano-N-(2-methoxyethyl)-N-methyl-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]ethenesulfonamide
PubChem CID156709090
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC Name(E)-1-cyano-N-(2-methoxyethyl)-N-methyl-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]ethenesulfonamide
SMILESCOCCN(C)S(=O)(=O)/C(C#N)=C/c1ccc(-c2ccc3cc(N4CCOCC4)ccc3c2)o1
InChIInChI=1S/C25H27N3O5S/c1-27(9-12-31-2)34(29,30)24(18-26)17-23-7-8-25(33-23)21-4-3-20-16-22(6-5-19(20)15-21)28-10-13-32-14-11-28/h3-8,15-17H,9-14H2,1-2H3/b24-17+
InChIKeyQGWTVFMAVKIWMI-JJIBRWJFSA-N
XLogP3.71
TPSA96.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

(E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]ethenesulfonamide
CID 118401170
(E)-1-cyano-N-(2-hydroxybutyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]ethenesulfonamide
CID 122682822
(E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-2-enamide
CID 122682727
(E)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]-2-[[[(3S,4S,5R)-3,4,5-trihydroxy-6-oxooxan-2-yl]methylamino]methylsulfonyl]prop-2-enenitrile
CID 153371571
(E)-1-cyano-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]ethenesulfonamide
CID 122682902
(E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-2-enamide;(E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-2-enamide
CID 167710615
(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide
CID 122682733
(E)-1-cyano-N-[[(2R,3S,4R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]ethenesulfonamide
CID 166874161
(E)-1-cyano-N-(4-hydroxy-2-methylbutan-2-yl)-2-[1-methyl-5-(6-morpholin-4-ylnaphthalen-2-yl)pyrrol-2-yl]ethenesulfonamide
CID 144927872
(E)-1-cyano-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]-N-[[(2R,3S,4R,5R)-3,4,5-trihydroxy-6-(2-hydroxyethyl)oxan-2-yl]methyl]prop-1-ene-1-sulfonamide
CID 166874347
(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]ethenesulfonamide
CID 122683018
2-[2-(2-methoxyethoxy)ethoxy]ethyl (Z)-2-cyano-3-(6-morpholin-4-ylnaphthalen-2-yl)prop-2-enoate
CID 177411368

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyano-N-(2-methoxyethyl)-N-methyl-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]ethenesulfonamide?
The IUPAC name of (E)-1-cyano-N-(2-methoxyethyl)-N-methyl-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]ethenesulfonamide (CID 156709090) is (E)-1-cyano-N-(2-methoxyethyl)-N-methyl-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]ethenesulfonamide.
What is the SMILES notation for (E)-1-cyano-N-(2-methoxyethyl)-N-methyl-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]ethenesulfonamide?
The canonical SMILES for (E)-1-cyano-N-(2-methoxyethyl)-N-methyl-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]ethenesulfonamide is COCCN(C)S(=O)(=O)/C(C#N)=C/c1ccc(-c2ccc3cc(N4CCOCC4)ccc3c2)o1.
What is the InChIKey of (E)-1-cyano-N-(2-methoxyethyl)-N-methyl-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]ethenesulfonamide?
The InChIKey is QGWTVFMAVKIWMI-JJIBRWJFSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-27(9-12-31-2)34(29,30)24(18-26)17-23-7-8-25(33-23)21-4-3-20-16-22(6-5-19(20)15-21)28-10-13-32-14-11-28/h3-8,15-17H,9-14H2,1-2H3/b24-17+.
What are the key properties of (E)-1-cyano-N-(2-methoxyethyl)-N-methyl-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]ethenesulfonamide?
(E)-1-cyano-N-(2-methoxyethyl)-N-methyl-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]ethenesulfonamide has a molecular weight of 481.57 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyano-N-(2-methoxyethyl)-N-methyl-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]ethenesulfonamide is sourced from PubChem (CID 156709090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).