N-[4-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide

C23H24N2O4S — CID 1284903

IUPACN-[4-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=Cc2ccco2)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-3-25(4-2)30(27,28)21-14-12-19(13-15-21)24-23(26)22(17-20-11-8-16-29-20)18-9-6-5-7-10-18/h5-17H,3-4H2,1-2H3,(H,24,26)
InChIKeySWSVCYHZBSDPOS-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.49
Rot. Bonds8

About N-[4-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide

N-[4-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide (PubChem CID 1284903) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
PubChem CID1284903
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=Cc2ccco2)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-3-25(4-2)30(27,28)21-14-12-19(13-15-21)24-23(26)22(17-20-11-8-16-29-20)18-9-6-5-7-10-18/h5-17H,3-4H2,1-2H3,(H,24,26)
InChIKeySWSVCYHZBSDPOS-UHFFFAOYSA-N
XLogP4.49
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.49
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

(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
CID 38018309
(E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
CID 6505286
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
(E)-N-(3,4-dichlorophenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide
CID 21372266
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
(E)-N-[3-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide
CID 6213913
(E)-N-[4-(tert-butylsulfamoyl)phenyl]-2,3-diphenylprop-2-enamide
CID 6523072
ethyl (Z)-3-(furan-2-yl)-2-phenylprop-2-enoate
CID 170872169
N-[4-(dipropylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide
CID 4617041
N-[4-(diethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide
CID 18075261
3-bromo-N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 54791626
4-(diethylsulfamoyl)-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928237

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide (CID 1284903) is N-[4-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=Cc2ccco2)c2ccccc2)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide?
The InChIKey is SWSVCYHZBSDPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-3-25(4-2)30(27,28)21-14-12-19(13-15-21)24-23(26)22(17-20-11-8-16-29-20)18-9-6-5-7-10-18/h5-17H,3-4H2,1-2H3,(H,24,26).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide?
N-[4-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide has a molecular weight of 424.52 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide is sourced from PubChem (CID 1284903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).