(E)-3-(4-acetamidophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide

C22H27N3O4S — CID 31253612

IUPAC(E)-3-(4-acetamidophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)/C=C/c2ccc(NC(C)=O)cc2)ccc1C
InChIInChI=1S/C22H27N3O4S/c1-5-25(6-2)30(28,29)21-15-20(11-7-16(21)3)24-22(27)14-10-18-8-12-19(13-9-18)23-17(4)26/h7-15H,5-6H2,1-4H3,(H,23,26)(H,24,27)/b14-10+
InChIKeyGMVBIMFYBBWQJF-GXDHUFHOSA-N
MW429.54 g/mol
LogP3.64
Rot. Bonds8

About (E)-3-(4-acetamidophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide

(E)-3-(4-acetamidophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide (PubChem CID 31253612) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is (E)-3-(4-acetamidophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-acetamidophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide
PubChem CID31253612
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name(E)-3-(4-acetamidophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)/C=C/c2ccc(NC(C)=O)cc2)ccc1C
InChIInChI=1S/C22H27N3O4S/c1-5-25(6-2)30(28,29)21-15-20(11-7-16(21)3)24-22(27)14-10-18-8-12-19(13-9-18)23-17(4)26/h7-15H,5-6H2,1-4H3,(H,23,26)(H,24,27)/b14-10+
InChIKeyGMVBIMFYBBWQJF-GXDHUFHOSA-N
XLogP3.64
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.64
H-Bond Donors ≤ 52
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-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 18200405
(E)-N-(4-acetamido-3-methylphenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 46551494
(E)-3-(2-cyanophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide
CID 55464461
N-[3-[ethyl(2-methylprop-2-enyl)sulfamoyl]-4-methylphenyl]acetamide
CID 39792493
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-quinoxalin-2-ylprop-2-enamide
CID 3371220
N-(5-acetamido-2-chlorophenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 55916341
(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)-3-(4-ethoxyphenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9141198
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide
CID 7929076
N-[4-(diethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1293099
1-tert-butyl-3-[3-(diethylsulfamoyl)-4-methylphenyl]urea
CID 8002731

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-acetamidophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-acetamidophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide (CID 31253612) is (E)-3-(4-acetamidophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-acetamidophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-acetamidophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)/C=C/c2ccc(NC(C)=O)cc2)ccc1C.
What is the InChIKey of (E)-3-(4-acetamidophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide?
The InChIKey is GMVBIMFYBBWQJF-GXDHUFHOSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-5-25(6-2)30(28,29)21-15-20(11-7-16(21)3)24-22(27)14-10-18-8-12-19(13-9-18)23-17(4)26/h7-15H,5-6H2,1-4H3,(H,23,26)(H,24,27)/b14-10+.
What are the key properties of (E)-3-(4-acetamidophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide?
(E)-3-(4-acetamidophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide has a molecular weight of 429.54 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-acetamidophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide is sourced from PubChem (CID 31253612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).