N-[[1-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]piperidin-2-yl]methyl]methanesulfonamide

C18H26N2O4S — CID 43062849

IUPACN-[[1-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCCOc1ccc(/C=C/C(=O)N2CCCCC2CNS(C)(=O)=O)cc1
InChIInChI=1S/C18H26N2O4S/c1-3-24-17-10-7-15(8-11-17)9-12-18(21)20-13-5-4-6-16(20)14-19-25(2,22)23/h7-12,16,19H,3-6,13-14H2,1-2H3/b12-9+
InChIKeyABPJVWNFGRCZMI-FMIVXFBMSA-N
MW366.48 g/mol
LogP2.03
Rot. Bonds7

About N-[[1-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]piperidin-2-yl]methyl]methanesulfonamide

N-[[1-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 43062849) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is N-[[1-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]piperidin-2-yl]methyl]methanesulfonamide
PubChem CID43062849
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC NameN-[[1-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCCOc1ccc(/C=C/C(=O)N2CCCCC2CNS(C)(=O)=O)cc1
InChIInChI=1S/C18H26N2O4S/c1-3-24-17-10-7-15(8-11-17)9-12-18(21)20-13-5-4-6-16(20)14-19-25(2,22)23/h7-12,16,19H,3-6,13-14H2,1-2H3/b12-9+
InChIKeyABPJVWNFGRCZMI-FMIVXFBMSA-N
XLogP2.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.03
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

N-[[(2R)-1-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 97433339
N-[[1-[(E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073293
3-(4-ethoxyphenyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 79029011
N-[[(2R)-1-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 31999391
(E)-3-(4-ethoxyphenyl)-1-(2-methylpiperidin-1-yl)prop-2-en-1-one
CID 42905212
N-[[(2R)-1-[2-(4-methylphenoxy)acetyl]piperidin-2-yl]methyl]methanesulfonamide
CID 31998085
N-[[1-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073373
N-[[1-[(E)-3-naphthalen-1-ylprop-2-enoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073434
(E)-1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one
CID 46647186
(E)-3-(4-ethoxyphenyl)-1-[4-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-1,4-diazepan-1-yl]prop-2-en-1-one
CID 17228057
(E)-3-(4-ethoxyphenyl)-1-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 51308000
3-(4-ethoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]prop-2-en-1-one
CID 126784591

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]piperidin-2-yl]methyl]methanesulfonamide (CID 43062849) is N-[[1-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]piperidin-2-yl]methyl]methanesulfonamide is CCOc1ccc(/C=C/C(=O)N2CCCCC2CNS(C)(=O)=O)cc1.
What is the InChIKey of N-[[1-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is ABPJVWNFGRCZMI-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-3-24-17-10-7-15(8-11-17)9-12-18(21)20-13-5-4-6-16(20)14-19-25(2,22)23/h7-12,16,19H,3-6,13-14H2,1-2H3/b12-9+.
What are the key properties of N-[[1-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]piperidin-2-yl]methyl]methanesulfonamide?
N-[[1-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 366.48 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 43062849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).