(E)-3-pyridin-3-yl-N-(4-quinolin-8-ylsulfonylphenyl)prop-2-enamide

C23H17N3O3S — CID 70978696

IUPAC(E)-3-pyridin-3-yl-N-(4-quinolin-8-ylsulfonylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C23H17N3O3S/c27-22(13-8-17-4-2-14-24-16-17)26-19-9-11-20(12-10-19)30(28,29)21-7-1-5-18-6-3-15-25-23(18)21/h1-16H,(H,26,27)/b13-8+
InChIKeyOXFCHNPZNFKIEJ-MDWZMJQESA-N
MW415.47 g/mol
LogP4.11
Rot. Bonds5

About (E)-3-pyridin-3-yl-N-(4-quinolin-8-ylsulfonylphenyl)prop-2-enamide

(E)-3-pyridin-3-yl-N-(4-quinolin-8-ylsulfonylphenyl)prop-2-enamide (PubChem CID 70978696) has the molecular formula C23H17N3O3S and a molecular weight of 415.47 g/mol. Its IUPAC name is (E)-3-pyridin-3-yl-N-(4-quinolin-8-ylsulfonylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-pyridin-3-yl-N-(4-quinolin-8-ylsulfonylphenyl)prop-2-enamide
PubChem CID70978696
Molecular FormulaC23H17N3O3S
Molecular Weight415.47 g/mol
Exact Mass415.10
IUPAC Name(E)-3-pyridin-3-yl-N-(4-quinolin-8-ylsulfonylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C23H17N3O3S/c27-22(13-8-17-4-2-14-24-16-17)26-19-9-11-20(12-10-19)30(28,29)21-7-1-5-18-6-3-15-25-23(18)21/h1-16H,(H,26,27)/b13-8+
InChIKeyOXFCHNPZNFKIEJ-MDWZMJQESA-N
XLogP4.11
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-3-pyridin-3-yl-N-(4-quinolin-8-ylsulfonylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-pyridin-3-yl-N-(4-quinolin-8-ylsulfonylphenyl)prop-2-enamide (CID 70978696) is (E)-3-pyridin-3-yl-N-(4-quinolin-8-ylsulfonylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-pyridin-3-yl-N-(4-quinolin-8-ylsulfonylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-pyridin-3-yl-N-(4-quinolin-8-ylsulfonylphenyl)prop-2-enamide is O=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2cccc3cccnc23)cc1.
What is the InChIKey of (E)-3-pyridin-3-yl-N-(4-quinolin-8-ylsulfonylphenyl)prop-2-enamide?
The InChIKey is OXFCHNPZNFKIEJ-MDWZMJQESA-N. The full InChI is InChI=1S/C23H17N3O3S/c27-22(13-8-17-4-2-14-24-16-17)26-19-9-11-20(12-10-19)30(28,29)21-7-1-5-18-6-3-15-25-23(18)21/h1-16H,(H,26,27)/b13-8+.
What are the key properties of (E)-3-pyridin-3-yl-N-(4-quinolin-8-ylsulfonylphenyl)prop-2-enamide?
(E)-3-pyridin-3-yl-N-(4-quinolin-8-ylsulfonylphenyl)prop-2-enamide has a molecular weight of 415.47 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-pyridin-3-yl-N-(4-quinolin-8-ylsulfonylphenyl)prop-2-enamide is sourced from PubChem (CID 70978696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).