(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide

C20H27N3O5S — CID 6011004

IUPAC(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCCN1CCCC1=O
InChIInChI=1S/C20H27N3O5S/c24-19(21-10-2-12-22-11-1-3-20(22)25)9-6-17-4-7-18(8-5-17)29(26,27)23-13-15-28-16-14-23/h4-9H,1-3,10-16H2,(H,21,24)/b9-6+
InChIKeyVYPCCFZIWAKXCO-RMKNXTFCSA-N
MW421.52 g/mol
LogP0.85
Rot. Bonds8

About (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide

(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide (PubChem CID 6011004) has the molecular formula C20H27N3O5S and a molecular weight of 421.52 g/mol. Its IUPAC name is (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
PubChem CID6011004
Molecular FormulaC20H27N3O5S
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC Name(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCCN1CCCC1=O
InChIInChI=1S/C20H27N3O5S/c24-19(21-10-2-12-22-11-1-3-20(22)25)9-6-17-4-7-18(8-5-17)29(26,27)23-13-15-28-16-14-23/h4-9H,1-3,10-16H2,(H,21,24)/b9-6+
InChIKeyVYPCCFZIWAKXCO-RMKNXTFCSA-N
XLogP0.85
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-chloroethenyl]-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]benzene-1-sulfonamide
CID 16125613
4-Sulfamoyl-N-(3-morpholinopropyl)benzamide (I-1)
CID 25060316
1-(4-methylphenyl)sulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 2450240
N-isobutyl-4-[3-(4-morpholinyl)-3-oxopropyl]benzenesulfonamide
CID 1287984
(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]prop-2-enamide
CID 2336359
4-({4-[3-Oxo-3-(1-pyrrolidinyl)propyl]phenyl}sulfonyl)morpholine
CID 2374147
(E)-N-[(4-methylphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2671758
3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 2997632
4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 2998789
1-[(4-methylphenyl)sulfonyl]-N-[3-(propan-2-yloxy)propyl]piperidine-4-carboxamide
CID 3156693
4-({[(4-methylphenyl)sulfonyl]amino}methyl)-N-(3-morpholin-4-ylpropyl)cyclohexanecarboxamide
CID 3244467
4-methyl-N-{[4-(morpholin-4-ylcarbonyl)cyclohexyl]methyl}benzenesulfonamide
CID 4156772

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide (CID 6011004) is (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide is O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCCN1CCCC1=O.
What is the InChIKey of (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide?
The InChIKey is VYPCCFZIWAKXCO-RMKNXTFCSA-N. The full InChI is InChI=1S/C20H27N3O5S/c24-19(21-10-2-12-22-11-1-3-20(22)25)9-6-17-4-7-18(8-5-17)29(26,27)23-13-15-28-16-14-23/h4-9H,1-3,10-16H2,(H,21,24)/b9-6+.
What are the key properties of (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide?
(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide has a molecular weight of 421.52 g/mol, XLogP of 0.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide is sourced from PubChem (CID 6011004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).