N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-pyridin-2-ylprop-2-enamide

C22H27N3O3S — CID 67812240

IUPACN-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-pyridin-2-ylprop-2-enamide
SMILESCN(C(=O)C=Cc1ccccn1)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C22H27N3O3S/c1-25(22(26)16-11-18-8-6-7-17-23-18)20-12-14-21(15-13-20)29(27,28)24-19-9-4-2-3-5-10-19/h6-8,11-17,19,24H,2-5,9-10H2,1H3
InChIKeyPQKGBSVMIKFMDP-UHFFFAOYSA-N
MW413.54 g/mol
LogP3.76
Rot. Bonds6

About N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-pyridin-2-ylprop-2-enamide

N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-pyridin-2-ylprop-2-enamide (PubChem CID 67812240) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-pyridin-2-ylprop-2-enamide
PubChem CID67812240
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC NameN-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-pyridin-2-ylprop-2-enamide
SMILESCN(C(=O)C=Cc1ccccn1)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C22H27N3O3S/c1-25(22(26)16-11-18-8-6-7-17-23-18)20-12-14-21(15-13-20)29(27,28)24-19-9-4-2-3-5-10-19/h6-8,11-17,19,24H,2-5,9-10H2,1H3
InChIKeyPQKGBSVMIKFMDP-UHFFFAOYSA-N
XLogP3.76
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-4-phenylbut-2-enamide
CID 19603988
N-[4-(cyclohexylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide
CID 54338538
(E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide
CID 15049733
1-N-cyclohexyl-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 859646
3-(3-chloro-4,5-dihydroxyphenyl)-N-[4-(2,3-dihydro-1H-inden-2-ylsulfamoyl)phenyl]-N-methylprop-2-enamide
CID 54253372
(E)-N-[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]-3-(4-cyanophenyl)-N-methylprop-2-enamide;hydrochloride
CID 22918930
N-cycloheptyl-4-(methylamino)benzenesulfonamide
CID 15049673
N-methyl-3-(4-methylsulfonylphenyl)-N-[4-[[1-(2-pyridin-3-ylethyl)piperidin-4-yl]sulfamoyl]phenyl]prop-2-enamide;hydrochloride
CID 67690605
(E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[[4-(dimethylamino)phenyl]methyl]-N-methylprop-2-enamide
CID 39288139
sodium 4-(cyclohexylsulfamoyl)benzoate
CID 122705986
[2-(2-aminoacetyl)oxy-4-[3-[4-(2,3-dihydro-1H-inden-2-ylsulfamoyl)-N-methylanilino]-3-oxoprop-1-enyl]phenyl] 2-aminoacetate
CID 57085197
N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide
CID 30126683

Frequently Asked Questions

What is the IUPAC name of N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-pyridin-2-ylprop-2-enamide?
The IUPAC name of N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-pyridin-2-ylprop-2-enamide (CID 67812240) is N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-pyridin-2-ylprop-2-enamide?
The canonical SMILES for N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-pyridin-2-ylprop-2-enamide is CN(C(=O)C=Cc1ccccn1)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1.
What is the InChIKey of N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-pyridin-2-ylprop-2-enamide?
The InChIKey is PQKGBSVMIKFMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-25(22(26)16-11-18-8-6-7-17-23-18)20-12-14-21(15-13-20)29(27,28)24-19-9-4-2-3-5-10-19/h6-8,11-17,19,24H,2-5,9-10H2,1H3.
What are the key properties of N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-pyridin-2-ylprop-2-enamide?
N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-pyridin-2-ylprop-2-enamide has a molecular weight of 413.54 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 67812240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).