(E)-N-[1-(4-cyanophenyl)piperidin-4-yl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide

C23H26N4O3S — CID 86869299

IUPAC(E)-N-[1-(4-cyanophenyl)piperidin-4-yl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide
SMILESCN(C)S(=O)(=O)c1ccc(/C=C/C(=O)NC2CCN(c3ccc(C#N)cc3)CC2)cc1
InChIInChI=1S/C23H26N4O3S/c1-26(2)31(29,30)22-10-5-18(6-11-22)7-12-23(28)25-20-13-15-27(16-14-20)21-8-3-19(17-24)4-9-21/h3-12,20H,13-16H2,1-2H3,(H,25,28)/b12-7+
InChIKeyCJHASPMJFDPQBP-KPKJPENVSA-N
MW438.55 g/mol
LogP2.61
Rot. Bonds6

About (E)-N-[1-(4-cyanophenyl)piperidin-4-yl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide

(E)-N-[1-(4-cyanophenyl)piperidin-4-yl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 86869299) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is (E)-N-[1-(4-cyanophenyl)piperidin-4-yl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(4-cyanophenyl)piperidin-4-yl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide
PubChem CID86869299
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name(E)-N-[1-(4-cyanophenyl)piperidin-4-yl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide
SMILESCN(C)S(=O)(=O)c1ccc(/C=C/C(=O)NC2CCN(c3ccc(C#N)cc3)CC2)cc1
InChIInChI=1S/C23H26N4O3S/c1-26(2)31(29,30)22-10-5-18(6-11-22)7-12-23(28)25-20-13-15-27(16-14-20)21-8-3-19(17-24)4-9-21/h3-12,20H,13-16H2,1-2H3,(H,25,28)/b12-7+
InChIKeyCJHASPMJFDPQBP-KPKJPENVSA-N
XLogP2.61
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]benzenesulfonamide
CID 60807414
3-(4-cyanophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
CID 77109950
(E)-3-(4-cyanophenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]prop-2-enamide
CID 26746912
(E)-N-(1-phenylpiperidin-4-yl)-3-(4-propoxyphenyl)prop-2-enamide
CID 75405131
N,N-dimethyl-4-(4-piperidin-4-ylpiperidin-1-yl)benzenesulfonamide
CID 71081142
methyl 4-[[1-(4-cyanophenyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylate
CID 19391665
(E)-3-(4-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)prop-2-enamide
CID 46566592
3-[4-(cyanomethoxy)phenyl]-N-(1-propylsulfonylpiperidin-4-yl)prop-2-enamide
CID 55706212
N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 155957365
N-[1-(4-cyanophenyl)piperidin-4-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 86868736
N-[4-[(E)-3-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]-3-oxoprop-1-enyl]phenyl]methanesulfonamide
CID 55963245
(E)-N-[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]-3-(4-cyanophenyl)-N-methylprop-2-enamide;hydrochloride
CID 22918930

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(4-cyanophenyl)piperidin-4-yl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[1-(4-cyanophenyl)piperidin-4-yl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide (CID 86869299) is (E)-N-[1-(4-cyanophenyl)piperidin-4-yl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[1-(4-cyanophenyl)piperidin-4-yl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[1-(4-cyanophenyl)piperidin-4-yl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide is CN(C)S(=O)(=O)c1ccc(/C=C/C(=O)NC2CCN(c3ccc(C#N)cc3)CC2)cc1.
What is the InChIKey of (E)-N-[1-(4-cyanophenyl)piperidin-4-yl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is CJHASPMJFDPQBP-KPKJPENVSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-26(2)31(29,30)22-10-5-18(6-11-22)7-12-23(28)25-20-13-15-27(16-14-20)21-8-3-19(17-24)4-9-21/h3-12,20H,13-16H2,1-2H3,(H,25,28)/b12-7+.
What are the key properties of (E)-N-[1-(4-cyanophenyl)piperidin-4-yl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide?
(E)-N-[1-(4-cyanophenyl)piperidin-4-yl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 438.55 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(4-cyanophenyl)piperidin-4-yl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 86869299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).