N-(2-methoxyphenyl)-4-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]benzenesulfonamide

C27H26N2O4S — CID 26877492

IUPACN-(2-methoxyphenyl)-4-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(/C=C/C(=O)N2CC=C(c3ccccc3)CC2)cc1
InChIInChI=1S/C27H26N2O4S/c1-33-26-10-6-5-9-25(26)28-34(31,32)24-14-11-21(12-15-24)13-16-27(30)29-19-17-23(18-20-29)22-7-3-2-4-8-22/h2-17,28H,18-20H2,1H3/b16-13+
InChIKeyBZTYGMNEYAJRSJ-DTQAZKPQSA-N
MW474.58 g/mol
LogP4.83
Rot. Bonds7

About N-(2-methoxyphenyl)-4-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]benzenesulfonamide

N-(2-methoxyphenyl)-4-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]benzenesulfonamide (PubChem CID 26877492) has the molecular formula C27H26N2O4S and a molecular weight of 474.58 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]benzenesulfonamide
PubChem CID26877492
Molecular FormulaC27H26N2O4S
Molecular Weight474.58 g/mol
Exact Mass474.16
IUPAC NameN-(2-methoxyphenyl)-4-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(/C=C/C(=O)N2CC=C(c3ccccc3)CC2)cc1
InChIInChI=1S/C27H26N2O4S/c1-33-26-10-6-5-9-25(26)28-34(31,32)24-14-11-21(12-15-24)13-16-27(30)29-19-17-23(18-20-29)22-7-3-2-4-8-22/h2-17,28H,18-20H2,1H3/b16-13+
InChIKeyBZTYGMNEYAJRSJ-DTQAZKPQSA-N
XLogP4.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-3-(azepan-1-yl)-3-oxoprop-1-enyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 9314898
4-[(E)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxoprop-1-enyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 26532556
N-(2-methoxyphenyl)-4-[(E)-3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]prop-1-enyl]benzenesulfonamide
CID 46533187
(E)-N-(4-fluoro-2-methylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 26886402
(E)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-N-[(E)-pent-3-enyl]prop-2-enamide
CID 86953157
(E)-3-(1,3-benzodioxol-5-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-2-en-1-one
CID 2551846
N-(2-chlorophenyl)-4-[(E)-3-(3,5-dimethylpiperidin-1-yl)-3-oxoprop-1-enyl]benzenesulfonamide
CID 42992234
(E)-N-(5-fluoro-2-methylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 26696619
(E)-3-(3,5-dimethoxyphenyl)-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one
CID 24583945
N-(2-chlorophenyl)-4-[(E)-3-oxo-3-(1-oxo-1,4-thiazinan-4-yl)prop-1-enyl]benzenesulfonamide
CID 56571495
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 9200354
2-[[(E)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoyl]amino]-N-propylpropanamide
CID 46520814

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]benzenesulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]benzenesulfonamide (CID 26877492) is N-(2-methoxyphenyl)-4-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]benzenesulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]benzenesulfonamide is COc1ccccc1NS(=O)(=O)c1ccc(/C=C/C(=O)N2CC=C(c3ccccc3)CC2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]benzenesulfonamide?
The InChIKey is BZTYGMNEYAJRSJ-DTQAZKPQSA-N. The full InChI is InChI=1S/C27H26N2O4S/c1-33-26-10-6-5-9-25(26)28-34(31,32)24-14-11-21(12-15-24)13-16-27(30)29-19-17-23(18-20-29)22-7-3-2-4-8-22/h2-17,28H,18-20H2,1H3/b16-13+.
What are the key properties of N-(2-methoxyphenyl)-4-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]benzenesulfonamide?
N-(2-methoxyphenyl)-4-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]benzenesulfonamide has a molecular weight of 474.58 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]benzenesulfonamide is sourced from PubChem (CID 26877492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).