(E)-N-(1-methylsulfonylpiperidin-4-yl)-3-naphthalen-1-ylprop-2-enamide

C19H22N2O3S — CID 46566520

IUPAC(E)-N-(1-methylsulfonylpiperidin-4-yl)-3-naphthalen-1-ylprop-2-enamide
SMILESCS(=O)(=O)N1CCC(NC(=O)/C=C/c2cccc3ccccc23)CC1
InChIInChI=1S/C19H22N2O3S/c1-25(23,24)21-13-11-17(12-14-21)20-19(22)10-9-16-7-4-6-15-5-2-3-8-18(15)16/h2-10,17H,11-14H2,1H3,(H,20,22)/b10-9+
InChIKeyZHKMRKAULUBVHT-MDZDMXLPSA-N
MW358.46 g/mol
LogP2.39
Rot. Bonds4

About (E)-N-(1-methylsulfonylpiperidin-4-yl)-3-naphthalen-1-ylprop-2-enamide

(E)-N-(1-methylsulfonylpiperidin-4-yl)-3-naphthalen-1-ylprop-2-enamide (PubChem CID 46566520) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is (E)-N-(1-methylsulfonylpiperidin-4-yl)-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-methylsulfonylpiperidin-4-yl)-3-naphthalen-1-ylprop-2-enamide
PubChem CID46566520
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name(E)-N-(1-methylsulfonylpiperidin-4-yl)-3-naphthalen-1-ylprop-2-enamide
SMILESCS(=O)(=O)N1CCC(NC(=O)/C=C/c2cccc3ccccc23)CC1
InChIInChI=1S/C19H22N2O3S/c1-25(23,24)21-13-11-17(12-14-21)20-19(22)10-9-16-7-4-6-15-5-2-3-8-18(15)16/h2-10,17H,11-14H2,1H3,(H,20,22)/b10-9+
InChIKeyZHKMRKAULUBVHT-MDZDMXLPSA-N
XLogP2.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-naphthalen-1-ylprop-2-enamide
CID 98470580
(E)-3-(4-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)prop-2-enamide
CID 46566592
(E)-3-(5-bromo-2-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)prop-2-enamide
CID 46462391
(E)-N-(cyclopentylcarbamothioyl)-3-naphthalen-1-ylprop-2-enamide
CID 6231325
N-(cyclopentylcarbamothioyl)-3-naphthalen-1-ylprop-2-enamide
CID 4922308
3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 3218769
N-[[1-[(E)-3-naphthalen-1-ylprop-2-enoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073434
(E)-N-(2-methylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 55534896
(E)-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(2,3-dichlorophenyl)prop-2-enamide
CID 24614351
N-cyclopropyl-2-[4-[(Z)-3-naphthalen-1-ylprop-2-enoyl]piperazin-1-yl]acetamide
CID 97433139
(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)prop-2-enamide
CID 46566449
(E)-N-[1-(4-methylsulfonylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide
CID 51313535

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-methylsulfonylpiperidin-4-yl)-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-N-(1-methylsulfonylpiperidin-4-yl)-3-naphthalen-1-ylprop-2-enamide (CID 46566520) is (E)-N-(1-methylsulfonylpiperidin-4-yl)-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(1-methylsulfonylpiperidin-4-yl)-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-N-(1-methylsulfonylpiperidin-4-yl)-3-naphthalen-1-ylprop-2-enamide is CS(=O)(=O)N1CCC(NC(=O)/C=C/c2cccc3ccccc23)CC1.
What is the InChIKey of (E)-N-(1-methylsulfonylpiperidin-4-yl)-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is ZHKMRKAULUBVHT-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-25(23,24)21-13-11-17(12-14-21)20-19(22)10-9-16-7-4-6-15-5-2-3-8-18(15)16/h2-10,17H,11-14H2,1H3,(H,20,22)/b10-9+.
What are the key properties of (E)-N-(1-methylsulfonylpiperidin-4-yl)-3-naphthalen-1-ylprop-2-enamide?
(E)-N-(1-methylsulfonylpiperidin-4-yl)-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 358.46 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-methylsulfonylpiperidin-4-yl)-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 46566520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).