(E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-4-phenylbut-2-enamide

C24H30N2O3S — CID 19603988

IUPAC(E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-4-phenylbut-2-enamide
SMILESCN(C(=O)/C=C/Cc1ccccc1)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C24H30N2O3S/c1-26(24(27)15-9-12-20-10-5-4-6-11-20)22-16-18-23(19-17-22)30(28,29)25-21-13-7-2-3-8-14-21/h4-6,9-11,15-19,21,25H,2-3,7-8,12-14H2,1H3/b15-9+
InChIKeyXDWAEDHCAJDZBV-OQLLNIDSSA-N
MW426.58 g/mol
LogP4.45
Rot. Bonds7

About (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-4-phenylbut-2-enamide

(E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-4-phenylbut-2-enamide (PubChem CID 19603988) has the molecular formula C24H30N2O3S and a molecular weight of 426.58 g/mol. Its IUPAC name is (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-4-phenylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-4-phenylbut-2-enamide
PubChem CID19603988
Molecular FormulaC24H30N2O3S
Molecular Weight426.58 g/mol
Exact Mass426.20
IUPAC Name(E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-4-phenylbut-2-enamide
SMILESCN(C(=O)/C=C/Cc1ccccc1)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C24H30N2O3S/c1-26(24(27)15-9-12-20-10-5-4-6-11-20)22-16-18-23(19-17-22)30(28,29)25-21-13-7-2-3-8-14-21/h4-6,9-11,15-19,21,25H,2-3,7-8,12-14H2,1H3/b15-9+
InChIKeyXDWAEDHCAJDZBV-OQLLNIDSSA-N
XLogP4.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-pyridin-2-ylprop-2-enamide
CID 67812240
(E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide
CID 15049733
N-[4-(cyclohexylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide
CID 54338538
N-[4-(cyclohexylsulfamoyl)phenyl]-2-phenylacetamide
CID 4627278
(E)-N-[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]-3-(4-cyanophenyl)-N-methylprop-2-enamide;hydrochloride
CID 22918930
4-N-cyclohexyl-1-N-(2-phenylethyl)benzene-1,4-disulfonamide
CID 1429121
1-N-cyclohexyl-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 859646
1-benzyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea
CID 119045094
N-cycloheptyl-4-(methylamino)benzenesulfonamide
CID 15049673
N-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715786
3-(cyclopropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 30856164
N-cyclooctyl-4-propylbenzenesulfonamide
CID 19681104

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-4-phenylbut-2-enamide?
The IUPAC name of (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-4-phenylbut-2-enamide (CID 19603988) is (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-4-phenylbut-2-enamide.
What is the SMILES notation for (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-4-phenylbut-2-enamide?
The canonical SMILES for (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-4-phenylbut-2-enamide is CN(C(=O)/C=C/Cc1ccccc1)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1.
What is the InChIKey of (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-4-phenylbut-2-enamide?
The InChIKey is XDWAEDHCAJDZBV-OQLLNIDSSA-N. The full InChI is InChI=1S/C24H30N2O3S/c1-26(24(27)15-9-12-20-10-5-4-6-11-20)22-16-18-23(19-17-22)30(28,29)25-21-13-7-2-3-8-14-21/h4-6,9-11,15-19,21,25H,2-3,7-8,12-14H2,1H3/b15-9+.
What are the key properties of (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-4-phenylbut-2-enamide?
(E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-4-phenylbut-2-enamide has a molecular weight of 426.58 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-4-phenylbut-2-enamide is sourced from PubChem (CID 19603988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).