(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-morpholin-4-ylphenyl)prop-2-enamide

C23H29N3O4S — CID 2320101

IUPAC(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-morpholin-4-ylphenyl)prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C23H29N3O4S/c1-3-26(4-2)31(28,29)22-12-5-19(6-13-22)7-14-23(27)24-20-8-10-21(11-9-20)25-15-17-30-18-16-25/h5-14H,3-4,15-18H2,1-2H3,(H,24,27)/b14-7+
InChIKeySSIRIVQINNOMAH-VGOFMYFVSA-N
MW443.57 g/mol
LogP3.21
Rot. Bonds8

About (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-morpholin-4-ylphenyl)prop-2-enamide

(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-morpholin-4-ylphenyl)prop-2-enamide (PubChem CID 2320101) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-morpholin-4-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-morpholin-4-ylphenyl)prop-2-enamide
PubChem CID2320101
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-morpholin-4-ylphenyl)prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C23H29N3O4S/c1-3-26(4-2)31(28,29)22-12-5-19(6-13-22)7-14-23(27)24-20-8-10-21(11-9-20)25-15-17-30-18-16-25/h5-14H,3-4,15-18H2,1-2H3,(H,24,27)/b14-7+
InChIKeySSIRIVQINNOMAH-VGOFMYFVSA-N
XLogP3.21
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-morpholin-4-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-morpholin-4-ylphenyl)prop-2-enamide (CID 2320101) is (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-morpholin-4-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-morpholin-4-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-morpholin-4-ylphenyl)prop-2-enamide is CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-morpholin-4-ylphenyl)prop-2-enamide?
The InChIKey is SSIRIVQINNOMAH-VGOFMYFVSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-3-26(4-2)31(28,29)22-12-5-19(6-13-22)7-14-23(27)24-20-8-10-21(11-9-20)25-15-17-30-18-16-25/h5-14H,3-4,15-18H2,1-2H3,(H,24,27)/b14-7+.
What are the key properties of (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-morpholin-4-ylphenyl)prop-2-enamide?
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-morpholin-4-ylphenyl)prop-2-enamide has a molecular weight of 443.57 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-morpholin-4-ylphenyl)prop-2-enamide is sourced from PubChem (CID 2320101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).