(E)-N-[4-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide

C23H22N4O4S — CID 71466490

IUPAC(E)-N-[4-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2cccnc2N2CCOCC2)cc1
InChIInChI=1S/C23H22N4O4S/c28-22(10-5-18-3-1-11-24-17-18)26-19-6-8-20(9-7-19)32(29,30)21-4-2-12-25-23(21)27-13-15-31-16-14-27/h1-12,17H,13-16H2,(H,26,28)/b10-5+
InChIKeyDHZMDUVBMLJVGL-BJMVGYQFSA-N
MW450.52 g/mol
LogP2.80
Rot. Bonds6

About (E)-N-[4-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[4-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 71466490) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is (E)-N-[4-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID71466490
Molecular FormulaC23H22N4O4S
Molecular Weight450.52 g/mol
Exact Mass450.14
IUPAC Name(E)-N-[4-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2cccnc2N2CCOCC2)cc1
InChIInChI=1S/C23H22N4O4S/c28-22(10-5-18-3-1-11-24-17-18)26-19-6-8-20(9-7-19)32(29,30)21-4-2-12-25-23(21)27-13-15-31-16-14-27/h1-12,17H,13-16H2,(H,26,28)/b10-5+
InChIKeyDHZMDUVBMLJVGL-BJMVGYQFSA-N
XLogP2.80
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide (CID 71466490) is (E)-N-[4-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide is O=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2cccnc2N2CCOCC2)cc1.
What is the InChIKey of (E)-N-[4-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is DHZMDUVBMLJVGL-BJMVGYQFSA-N. The full InChI is InChI=1S/C23H22N4O4S/c28-22(10-5-18-3-1-11-24-17-18)26-19-6-8-20(9-7-19)32(29,30)21-4-2-12-25-23(21)27-13-15-31-16-14-27/h1-12,17H,13-16H2,(H,26,28)/b10-5+.
What are the key properties of (E)-N-[4-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[4-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 450.52 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 71466490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).