(E)-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide

C23H28N4O4S — CID 55736429

IUPAC(E)-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1ccccn1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1
InChIInChI=1S/C23H28N4O4S/c28-23(10-7-19-6-2-3-11-24-19)25-21-18-20(32(29,30)27-14-16-31-17-15-27)8-9-22(21)26-12-4-1-5-13-26/h2-3,6-11,18H,1,4-5,12-17H2,(H,25,28)/b10-7+
InChIKeyAVGIDGKLTPPGJN-JXMROGBWSA-N
MW456.57 g/mol
LogP2.74
Rot. Bonds6

About (E)-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide

(E)-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide (PubChem CID 55736429) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is (E)-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide
PubChem CID55736429
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC Name(E)-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1ccccn1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1
InChIInChI=1S/C23H28N4O4S/c28-23(10-7-19-6-2-3-11-24-19)25-21-18-20(32(29,30)27-14-16-31-17-15-27)8-9-22(21)26-12-4-1-5-13-26/h2-3,6-11,18H,1,4-5,12-17H2,(H,25,28)/b10-7+
InChIKeyAVGIDGKLTPPGJN-JXMROGBWSA-N
XLogP2.74
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 52.74
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

3-(2-chlorophenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 3529783
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)prop-2-enamide
CID 166404561
(E)-N-[2-(azepan-1-yl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 24652753
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 24585839
3-(4-methylphenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 4620273
(2E,4E)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide
CID 18287293
N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-2-chloropyridine-4-carboxamide
CID 55456739
methyl 3-[[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]amino]-4-pyrrolidin-1-ylbenzoate
CID 55516644
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 7551095
2-chloro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
CID 5092221
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 5207383

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide (CID 55736429) is (E)-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide is O=C(/C=C/c1ccccn1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1.
What is the InChIKey of (E)-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide?
The InChIKey is AVGIDGKLTPPGJN-JXMROGBWSA-N. The full InChI is InChI=1S/C23H28N4O4S/c28-23(10-7-19-6-2-3-11-24-19)25-21-18-20(32(29,30)27-14-16-31-17-15-27)8-9-22(21)26-12-4-1-5-13-26/h2-3,6-11,18H,1,4-5,12-17H2,(H,25,28)/b10-7+.
What are the key properties of (E)-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide?
(E)-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide has a molecular weight of 456.57 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 55736429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).