(E)-N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(4-methoxyphenyl)prop-2-enamide

C22H28N2O4S — CID 9246720

IUPAC(E)-N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)/C=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H28N2O4S/c1-5-24(6-2)29(26,27)21-14-10-19(11-15-21)17(3)23-22(25)16-9-18-7-12-20(28-4)13-8-18/h7-17H,5-6H2,1-4H3,(H,23,25)/b16-9+/t17-/m1/s1
InChIKeyBNSUVIPHJMVTRI-JDZKTDJGSA-N
MW416.54 g/mol
LogP3.62
Rot. Bonds9

About (E)-N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(4-methoxyphenyl)prop-2-enamide

(E)-N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 9246720) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is (E)-N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID9246720
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name(E)-N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)/C=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H28N2O4S/c1-5-24(6-2)29(26,27)21-14-10-19(11-15-21)17(3)23-22(25)16-9-18-7-12-20(28-4)13-8-18/h7-17H,5-6H2,1-4H3,(H,23,25)/b16-9+/t17-/m1/s1
InChIKeyBNSUVIPHJMVTRI-JDZKTDJGSA-N
XLogP3.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.62
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

N-[4-(diethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1293099
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-methoxybenzamide
CID 51151516
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 51144295
(E)-N-[(2R)-butan-2-yl]-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 8712954
(E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide
CID 93486677
(E)-3-(4-chlorophenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 94016154
(E)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(3-nitrophenyl)prop-2-enamide
CID 55338990
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide
CID 9481779
2-[ethyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28547067
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methylbut-2-enamide
CID 31540675
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 125044817
(E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 6259894

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(4-methoxyphenyl)prop-2-enamide (CID 9246720) is (E)-N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(4-methoxyphenyl)prop-2-enamide is CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)/C=C/c2ccc(OC)cc2)cc1.
What is the InChIKey of (E)-N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is BNSUVIPHJMVTRI-JDZKTDJGSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-5-24(6-2)29(26,27)21-14-10-19(11-15-21)17(3)23-22(25)16-9-18-7-12-20(28-4)13-8-18/h7-17H,5-6H2,1-4H3,(H,23,25)/b16-9+/t17-/m1/s1.
What are the key properties of (E)-N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 416.54 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 9246720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).