(5Z)-5-[(Z)-but-2-enylidene]-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]-6-methylidenecyclohexa-1,3-diene-1-carboxamide

C26H33N3O3S — CID 142821373

IUPAC(5Z)-5-[(Z)-but-2-enylidene]-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]-6-methylidenecyclohexa-1,3-diene-1-carboxamide
SMILESC=c1c(C(=O)NCC2(c3ccccc3)CCN(S(=O)(=O)N(C)C)CC2)ccc/c1=C/C=C\C
InChIInChI=1S/C26H33N3O3S/c1-5-6-11-22-12-10-15-24(21(22)2)25(30)27-20-26(23-13-8-7-9-14-23)16-18-29(19-17-26)33(31,32)28(3)4/h5-15H,2,16-20H2,1,3-4H3,(H,27,30)/b6-5-,22-11-
InChIKeyPBIQGQWPKKXHAR-JDEKNSQGSA-N
MW467.64 g/mol
LogP2.02
Rot. Bonds7

About (5Z)-5-[(Z)-but-2-enylidene]-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]-6-methylidenecyclohexa-1,3-diene-1-carboxamide

(5Z)-5-[(Z)-but-2-enylidene]-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]-6-methylidenecyclohexa-1,3-diene-1-carboxamide (PubChem CID 142821373) has the molecular formula C26H33N3O3S and a molecular weight of 467.64 g/mol. Its IUPAC name is (5Z)-5-[(Z)-but-2-enylidene]-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]-6-methylidenecyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name(5Z)-5-[(Z)-but-2-enylidene]-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]-6-methylidenecyclohexa-1,3-diene-1-carboxamide
PubChem CID142821373
Molecular FormulaC26H33N3O3S
Molecular Weight467.64 g/mol
Exact Mass467.22
IUPAC Name(5Z)-5-[(Z)-but-2-enylidene]-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]-6-methylidenecyclohexa-1,3-diene-1-carboxamide
SMILESC=c1c(C(=O)NCC2(c3ccccc3)CCN(S(=O)(=O)N(C)C)CC2)ccc/c1=C/C=C\C
InChIInChI=1S/C26H33N3O3S/c1-5-6-11-22-12-10-15-24(21(22)2)25(30)27-20-26(23-13-8-7-9-14-23)16-18-29(19-17-26)33(31,32)28(3)4/h5-15H,2,16-20H2,1,3-4H3,(H,27,30)/b6-5-,22-11-
InChIKeyPBIQGQWPKKXHAR-JDEKNSQGSA-N
XLogP2.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.64
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5Z)-5-[(Z)-but-2-enylidene]-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]-6-methylidenecyclohexa-1,3-diene-1-carboxamide with MolForge

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Related Compounds

3-amino-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]pyrazine-2-carboxamide
CID 22240827
2-hydroxy-6-methoxy-N-[[1-[2-methoxyethyl(methyl)sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide
CID 23600437
1-(dimethylsulfamoyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide
CID 56921660
N-[[1-[(1-cyclohexyl-3-hydroxypropan-2-yl)sulfamoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
CID 22240612
N-[[1-(1-hydroxypropan-2-ylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
CID 22241040
2-chloro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 847347
N-[[1-[[(2S)-2-hydroxypropyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
CID 58596001
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-8-carboxamide
CID 142821690
2-methoxy-N-[[1-[[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide
CID 143258720
5-chloro-2-methoxy-N-[(4-phenyl-1-sulfamoylpiperidin-4-yl)methyl]benzamide
CID 22241034
N-[[4-(3-fluorophenyl)-1-sulfamoylazepan-4-yl]methyl]-2-methoxybenzamide
CID 23600982
methyl 4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidine-1-carboxylate
CID 20694798

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(Z)-but-2-enylidene]-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]-6-methylidenecyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of (5Z)-5-[(Z)-but-2-enylidene]-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]-6-methylidenecyclohexa-1,3-diene-1-carboxamide (CID 142821373) is (5Z)-5-[(Z)-but-2-enylidene]-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]-6-methylidenecyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for (5Z)-5-[(Z)-but-2-enylidene]-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]-6-methylidenecyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for (5Z)-5-[(Z)-but-2-enylidene]-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]-6-methylidenecyclohexa-1,3-diene-1-carboxamide is C=c1c(C(=O)NCC2(c3ccccc3)CCN(S(=O)(=O)N(C)C)CC2)ccc/c1=C/C=C\C.
What is the InChIKey of (5Z)-5-[(Z)-but-2-enylidene]-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]-6-methylidenecyclohexa-1,3-diene-1-carboxamide?
The InChIKey is PBIQGQWPKKXHAR-JDEKNSQGSA-N. The full InChI is InChI=1S/C26H33N3O3S/c1-5-6-11-22-12-10-15-24(21(22)2)25(30)27-20-26(23-13-8-7-9-14-23)16-18-29(19-17-26)33(31,32)28(3)4/h5-15H,2,16-20H2,1,3-4H3,(H,27,30)/b6-5-,22-11-.
What are the key properties of (5Z)-5-[(Z)-but-2-enylidene]-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]-6-methylidenecyclohexa-1,3-diene-1-carboxamide?
(5Z)-5-[(Z)-but-2-enylidene]-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]-6-methylidenecyclohexa-1,3-diene-1-carboxamide has a molecular weight of 467.64 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(Z)-but-2-enylidene]-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]-6-methylidenecyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 142821373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).