N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-phenylprop-2-enamide

C23H29N3O4S — CID 4797773

IUPACN-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-phenylprop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C=Cc2ccccc2)c1
InChIInChI=1S/C23H29N3O4S/c1-3-26(4-2)31(28,29)20-11-12-22(25-14-16-30-17-15-25)21(18-20)24-23(27)13-10-19-8-6-5-7-9-19/h5-13,18H,3-4,14-17H2,1-2H3,(H,24,27)
InChIKeyHDDWDHKJTXZWFM-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.21
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-phenylprop-2-enamide

N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-phenylprop-2-enamide (PubChem CID 4797773) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-phenylprop-2-enamide
PubChem CID4797773
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-phenylprop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C=Cc2ccccc2)c1
InChIInChI=1S/C23H29N3O4S/c1-3-26(4-2)31(28,29)20-11-12-22(25-14-16-30-17-15-25)21(18-20)24-23(27)13-10-19-8-6-5-7-9-19/h5-13,18H,3-4,14-17H2,1-2H3,(H,24,27)
InChIKeyHDDWDHKJTXZWFM-UHFFFAOYSA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 6219257
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide
CID 4810870
(2E,4E)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]hexa-2,4-dienamide
CID 18168362
(E)-3-(2-chloro-6-fluorophenyl)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]prop-2-enamide
CID 16562763
(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-phenylprop-2-enamide
CID 7688966
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,3-dimethylbutanamide
CID 3602856
(E)-N-(2-morpholin-4-ylphenyl)-3-phenylprop-2-enamide
CID 6253583
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-methoxyacetamide
CID 24656898
3-(4-methylphenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 4620273
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-propan-2-ylsulfanylacetamide
CID 30841717
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 16546078
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 4856797

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-phenylprop-2-enamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-phenylprop-2-enamide (CID 4797773) is N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-phenylprop-2-enamide is CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C=Cc2ccccc2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-phenylprop-2-enamide?
The InChIKey is HDDWDHKJTXZWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-3-26(4-2)31(28,29)20-11-12-22(25-14-16-30-17-15-25)21(18-20)24-23(27)13-10-19-8-6-5-7-9-19/h5-13,18H,3-4,14-17H2,1-2H3,(H,24,27).
What are the key properties of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-phenylprop-2-enamide?
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-phenylprop-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 N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 4797773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).