N-[4-(diethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide

C20H24N2O4S — CID 1293099

IUPACN-[4-(diethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)C=Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-4-22(5-2)27(24,25)19-13-9-17(10-14-19)21-20(23)15-8-16-6-11-18(26-3)12-7-16/h6-15H,4-5H2,1-3H3,(H,21,23)
InChIKeyZWWZDWDKFJRSAT-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.38
Rot. Bonds8

About N-[4-(diethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide

N-[4-(diethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 1293099) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID1293099
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)C=Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-4-22(5-2)27(24,25)19-13-9-17(10-14-19)21-20(23)15-8-16-6-11-18(26-3)12-7-16/h6-15H,4-5H2,1-3H3,(H,21,23)
InChIKeyZWWZDWDKFJRSAT-UHFFFAOYSA-N
XLogP3.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.38
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-(dipropylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 6259894
(E)-N-[4-(dibutylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 6256436
(E)-N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1226881
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 3316575
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 1314257
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 24640586
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 2330150
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 7550836
(E)-N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 9246720
(E)-N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227080
(E)-3-(4-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 954315
(E)-N-(4-acetamido-3-methylphenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 46551494

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide (CID 1293099) is N-[4-(diethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)C=Cc2ccc(OC)cc2)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is ZWWZDWDKFJRSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-4-22(5-2)27(24,25)19-13-9-17(10-14-19)21-20(23)15-8-16-6-11-18(26-3)12-7-16/h6-15H,4-5H2,1-3H3,(H,21,23).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide?
N-[4-(diethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 388.49 g/mol, XLogP of 3.38, 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-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 1293099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).