(2E,4E)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide

C21H29N3O4S — CID 18287293

IUPAC(2E,4E)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1
InChIInChI=1S/C21H29N3O4S/c1-2-3-5-8-21(25)22-19-17-18(29(26,27)24-11-6-4-7-12-24)9-10-20(19)23-13-15-28-16-14-23/h2-3,5,8-10,17H,4,6-7,11-16H2,1H3,(H,22,25)/b3-2+,8-5+
InChIKeyWEAOXGHSHKHGAE-YNRRLODASA-N
MW419.55 g/mol
LogP2.77
Rot. Bonds6

About (2E,4E)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide

(2E,4E)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide (PubChem CID 18287293) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is (2E,4E)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide
PubChem CID18287293
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC Name(2E,4E)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1
InChIInChI=1S/C21H29N3O4S/c1-2-3-5-8-21(25)22-19-17-18(29(26,27)24-11-6-4-7-12-24)9-10-20(19)23-13-15-28-16-14-23/h2-3,5,8-10,17H,4,6-7,11-16H2,1H3,(H,22,25)/b3-2+,8-5+
InChIKeyWEAOXGHSHKHGAE-YNRRLODASA-N
XLogP2.77
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]hexa-2,4-dienamide
CID 18168362
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)prop-2-enamide
CID 166404561
3-(4-methylphenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 4620273
N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexanamide
CID 18084204
3-(2-chlorophenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 3529783
N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 55605896
(E)-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide
CID 55736429
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide
CID 3938418
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
1-morpholin-4-yl-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)ethanone
CID 55346848
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 24585839
(2E,4E)-N-(3-pyrrolidin-1-ylsulfonylphenyl)hexa-2,4-dienamide
CID 9415021

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide (CID 18287293) is (2E,4E)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide is C/C=C/C=C/C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1.
What is the InChIKey of (2E,4E)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide?
The InChIKey is WEAOXGHSHKHGAE-YNRRLODASA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-2-3-5-8-21(25)22-19-17-18(29(26,27)24-11-6-4-7-12-24)9-10-20(19)23-13-15-28-16-14-23/h2-3,5,8-10,17H,4,6-7,11-16H2,1H3,(H,22,25)/b3-2+,8-5+.
What are the key properties of (2E,4E)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide?
(2E,4E)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide has a molecular weight of 419.55 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide is sourced from PubChem (CID 18287293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).