(E)-N-[4-(cyclohexylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide

C23H28N2O3S — CID 19164284

IUPAC(E)-N-[4-(cyclohexylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide
SMILESCCc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C23H28N2O3S/c1-2-18-8-10-19(11-9-18)12-17-23(26)24-20-13-15-22(16-14-20)29(27,28)25-21-6-4-3-5-7-21/h8-17,21,25H,2-7H2,1H3,(H,24,26)/b17-12+
InChIKeyLSYDYSMIHYFXPP-SFQUDFHCSA-N
MW412.56 g/mol
LogP4.51
Rot. Bonds7

About (E)-N-[4-(cyclohexylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide

(E)-N-[4-(cyclohexylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide (PubChem CID 19164284) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is (E)-N-[4-(cyclohexylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(cyclohexylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide
PubChem CID19164284
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC Name(E)-N-[4-(cyclohexylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide
SMILESCCc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C23H28N2O3S/c1-2-18-8-10-19(11-9-18)12-17-23(26)24-20-13-15-22(16-14-20)29(27,28)25-21-6-4-3-5-7-21/h8-17,21,25H,2-7H2,1H3,(H,24,26)/b17-12+
InChIKeyLSYDYSMIHYFXPP-SFQUDFHCSA-N
XLogP4.51
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 54.51
H-Bond Donors ≤ 52
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-(cyclohexylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 3456876
N-[4-(cyclohexylsulfamoyl)phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 54561382
4-(cyclopentylsulfamoyl)-N-(4-ethylphenyl)benzamide
CID 109059369
(Z)-N-cyclooctyl-3-(4-ethylphenyl)prop-2-enamide
CID 19579728
(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide
CID 9328746
N-[4-(cyclohexylsulfamoyl)phenyl]prop-2-enamide
CID 67121777
N,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide
CID 4629962
methyl N-[4-(cyclohexylsulfamoyl)phenyl]carbamate
CID 6465161
N-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715786
N-[4-(cyclohexylsulfamoyl)phenyl]-2-phenylacetamide
CID 4627278
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2-methyl-1,3-benzoxazol-6-yl)prop-2-enamide
CID 103597898
N-cyclooctyl-4-propylbenzenesulfonamide
CID 19681104

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(cyclohexylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(cyclohexylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide (CID 19164284) is (E)-N-[4-(cyclohexylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(cyclohexylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(cyclohexylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide is CCc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1.
What is the InChIKey of (E)-N-[4-(cyclohexylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide?
The InChIKey is LSYDYSMIHYFXPP-SFQUDFHCSA-N. The full InChI is InChI=1S/C23H28N2O3S/c1-2-18-8-10-19(11-9-18)12-17-23(26)24-20-13-15-22(16-14-20)29(27,28)25-21-6-4-3-5-7-21/h8-17,21,25H,2-7H2,1H3,(H,24,26)/b17-12+.
What are the key properties of (E)-N-[4-(cyclohexylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide?
(E)-N-[4-(cyclohexylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide has a molecular weight of 412.56 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(cyclohexylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide is sourced from PubChem (CID 19164284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).