(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide

C24H28N2O6S — CID 43055996

IUPAC(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cccc(OCC2CCCO2)c1
InChIInChI=1S/C24H28N2O6S/c27-24(25-20-3-1-4-21(17-20)32-18-22-5-2-14-31-22)11-8-19-6-9-23(10-7-19)33(28,29)26-12-15-30-16-13-26/h1,3-4,6-11,17,22H,2,5,12-16,18H2,(H,25,27)/b11-8+
InChIKeyPDNIESCMLGNTOX-DHZHZOJOSA-N
MW472.56 g/mol
LogP2.92
Rot. Bonds8

About (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide

(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide (PubChem CID 43055996) has the molecular formula C24H28N2O6S and a molecular weight of 472.56 g/mol. Its IUPAC name is (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
PubChem CID43055996
Molecular FormulaC24H28N2O6S
Molecular Weight472.56 g/mol
Exact Mass472.17
IUPAC Name(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cccc(OCC2CCCO2)c1
InChIInChI=1S/C24H28N2O6S/c27-24(25-20-3-1-4-21(17-20)32-18-22-5-2-14-31-22)11-8-19-6-9-23(10-7-19)33(28,29)26-12-15-30-16-13-26/h1,3-4,6-11,17,22H,2,5,12-16,18H2,(H,25,27)/b11-8+
InChIKeyPDNIESCMLGNTOX-DHZHZOJOSA-N
XLogP2.92
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.56
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 2336227
4-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]sulfonylmorpholine
CID 9333066
(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-methoxyphenyl)prop-2-enamide
CID 40627773
(E)-3-(2-nitrophenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
CID 46803009
4-(oxolan-2-ylmethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 4314126
(Z)-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
CID 2139660
1-(benzenesulfonyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]piperidine-2-carboxamide
CID 43056004
(E)-3-(4-chlorophenyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
CID 17195491
N-(2,6-difluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 76859964
N-(4-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 71904513
(E)-N-(4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2664919
3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 17131718

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide (CID 43055996) is (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide is O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cccc(OCC2CCCO2)c1.
What is the InChIKey of (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide?
The InChIKey is PDNIESCMLGNTOX-DHZHZOJOSA-N. The full InChI is InChI=1S/C24H28N2O6S/c27-24(25-20-3-1-4-21(17-20)32-18-22-5-2-14-31-22)11-8-19-6-9-23(10-7-19)33(28,29)26-12-15-30-16-13-26/h1,3-4,6-11,17,22H,2,5,12-16,18H2,(H,25,27)/b11-8+.
What are the key properties of (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide?
(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide has a molecular weight of 472.56 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 43055996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).