2-methoxy-N-[[1-[[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide

C28H33N3O5S — CID 143258720

IUPAC2-methoxy-N-[[1-[[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide
SMILESC=C/C=C\C=C(/C)C(=O)NS(=O)(=O)N1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1
InChIInChI=1S/C28H33N3O5S/c1-4-5-7-12-22(2)26(32)30-37(34,35)31-19-17-28(18-20-31,23-13-8-6-9-14-23)21-29-27(33)24-15-10-11-16-25(24)36-3/h4-16H,1,17-21H2,2-3H3,(H,29,33)(H,30,32)/b7-5-,22-12+
InChIKeyFGLKPDKWALLNOQ-TUAOZADDSA-N
MW523.66 g/mol
LogP3.51
Rot. Bonds10

About 2-methoxy-N-[[1-[[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide

2-methoxy-N-[[1-[[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide (PubChem CID 143258720) has the molecular formula C28H33N3O5S and a molecular weight of 523.66 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[[1-[[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide
PubChem CID143258720
Molecular FormulaC28H33N3O5S
Molecular Weight523.66 g/mol
Exact Mass523.21
IUPAC Name2-methoxy-N-[[1-[[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide
SMILESC=C/C=C\C=C(/C)C(=O)NS(=O)(=O)N1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1
InChIInChI=1S/C28H33N3O5S/c1-4-5-7-12-22(2)26(32)30-37(34,35)31-19-17-28(18-20-31,23-13-8-6-9-14-23)21-29-27(33)24-15-10-11-16-25(24)36-3/h4-16H,1,17-21H2,2-3H3,(H,29,33)(H,30,32)/b7-5-,22-12+
InChIKeyFGLKPDKWALLNOQ-TUAOZADDSA-N
XLogP3.51
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.66
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-[[1-[[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(1-hydroxypropan-2-ylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
CID 22241040
N-[[1-[[(2S)-2-hydroxypropyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
CID 58596001
methyl 4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidine-1-carboxylate
CID 20694798
N-[[1-[(1-cyclohexyl-3-hydroxypropan-2-yl)sulfamoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
CID 22240612
2-methoxy-N-[[1-[[(2R)-oxolan-2-yl]methylsulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide
CID 58596000
2-methoxy-N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide
CID 18009445
N-[[1-(N'-cyclopropyl-N-methylsulfonylcarbamimidoyl)-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
CID 23600905
acetylene;2-methoxy-N-[(1-phenylcyclohexyl)methyl]benzamide;N-methylmorpholine-4-sulfonamide
CID 142271452
5-chloro-2-methoxy-N-[(4-phenyl-1-sulfamoylpiperidin-4-yl)methyl]benzamide
CID 22241034
phenyl N-cyano-4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidine-1-carboximidate
CID 89126629
N-[[4-(3-fluorophenyl)-1-sulfamoylazepan-4-yl]methyl]-2-methoxybenzamide
CID 23600982
N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide
CID 142271522

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide?
The IUPAC name of 2-methoxy-N-[[1-[[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide (CID 143258720) is 2-methoxy-N-[[1-[[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[[1-[[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide?
The canonical SMILES for 2-methoxy-N-[[1-[[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide is C=C/C=C\C=C(/C)C(=O)NS(=O)(=O)N1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1.
What is the InChIKey of 2-methoxy-N-[[1-[[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide?
The InChIKey is FGLKPDKWALLNOQ-TUAOZADDSA-N. The full InChI is InChI=1S/C28H33N3O5S/c1-4-5-7-12-22(2)26(32)30-37(34,35)31-19-17-28(18-20-31,23-13-8-6-9-14-23)21-29-27(33)24-15-10-11-16-25(24)36-3/h4-16H,1,17-21H2,2-3H3,(H,29,33)(H,30,32)/b7-5-,22-12+.
What are the key properties of 2-methoxy-N-[[1-[[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide?
2-methoxy-N-[[1-[[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide has a molecular weight of 523.66 g/mol, XLogP of 3.51, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 143258720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).