(E)-N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-pyridin-2-ylprop-2-enamide

C18H16N2O3S — CID 75391350

IUPAC(E)-N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-pyridin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1ccccn1)NS(=O)(=O)C1=Cc2ccccc2CC1
InChIInChI=1S/C18H16N2O3S/c21-18(11-9-16-7-3-4-12-19-16)20-24(22,23)17-10-8-14-5-1-2-6-15(14)13-17/h1-7,9,11-13H,8,10H2,(H,20,21)/b11-9+
InChIKeyBNIZUAUOHJDOQQ-PKNBQFBNSA-N
MW340.40 g/mol
LogP2.53
Rot. Bonds4

About (E)-N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-pyridin-2-ylprop-2-enamide

(E)-N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-pyridin-2-ylprop-2-enamide (PubChem CID 75391350) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is (E)-N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-pyridin-2-ylprop-2-enamide
PubChem CID75391350
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name(E)-N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-pyridin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1ccccn1)NS(=O)(=O)C1=Cc2ccccc2CC1
InChIInChI=1S/C18H16N2O3S/c21-18(11-9-16-7-3-4-12-19-16)20-24(22,23)17-10-8-14-5-1-2-6-15(14)13-17/h1-7,9,11-13H,8,10H2,(H,20,21)/b11-9+
InChIKeyBNIZUAUOHJDOQQ-PKNBQFBNSA-N
XLogP2.53
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.53
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-pyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-pyridin-2-ylprop-2-enamide (CID 75391350) is (E)-N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-pyridin-2-ylprop-2-enamide is O=C(/C=C/c1ccccn1)NS(=O)(=O)C1=Cc2ccccc2CC1.
What is the InChIKey of (E)-N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-pyridin-2-ylprop-2-enamide?
The InChIKey is BNIZUAUOHJDOQQ-PKNBQFBNSA-N. The full InChI is InChI=1S/C18H16N2O3S/c21-18(11-9-16-7-3-4-12-19-16)20-24(22,23)17-10-8-14-5-1-2-6-15(14)13-17/h1-7,9,11-13H,8,10H2,(H,20,21)/b11-9+.
What are the key properties of (E)-N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-pyridin-2-ylprop-2-enamide?
(E)-N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-pyridin-2-ylprop-2-enamide has a molecular weight of 340.40 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 75391350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).