(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide

C23H28N2O3S — CID 16545693

IUPAC(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2cccc3c2CCCC3)cc1
InChIInChI=1S/C23H28N2O3S/c1-3-25(4-2)29(27,28)20-15-12-18(13-16-20)14-17-23(26)24-22-11-7-9-19-8-5-6-10-21(19)22/h7,9,11-17H,3-6,8,10H2,1-2H3,(H,24,26)/b17-14+
InChIKeyDWKYNQKSHKWJGZ-SAPNQHFASA-N
MW412.56 g/mol
LogP4.25
Rot. Bonds7

About (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide

(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide (PubChem CID 16545693) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide
PubChem CID16545693
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC Name(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2cccc3c2CCCC3)cc1
InChIInChI=1S/C23H28N2O3S/c1-3-25(4-2)29(27,28)20-15-12-18(13-16-20)14-17-23(26)24-22-11-7-9-19-8-5-6-10-21(19)22/h7,9,11-17H,3-6,8,10H2,1-2H3,(H,24,26)/b17-14+
InChIKeyDWKYNQKSHKWJGZ-SAPNQHFASA-N
XLogP4.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 76617104
3-[4-(diethylsulfamoyl)phenyl]-N-(2,6-difluorophenyl)prop-2-enamide
CID 75618954
3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylquinolin-8-yl)prop-2-enamide
CID 72685102
(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-phenylprop-2-enamide
CID 7688966
3-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 78783898
(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
4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)but-2-enoate
CID 7218047
(E)-N-(4-acetamido-3-methylphenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 46551494
3-[[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]amino]-5-fluoro-4-methylbenzamide
CID 46486254
N-(5-acetamido-2-chlorophenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 55916341
N-(3-cyanophenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 71904739

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide?
The IUPAC name of (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide (CID 16545693) is (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide?
The canonical SMILES for (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide is CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2cccc3c2CCCC3)cc1.
What is the InChIKey of (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide?
The InChIKey is DWKYNQKSHKWJGZ-SAPNQHFASA-N. The full InChI is InChI=1S/C23H28N2O3S/c1-3-25(4-2)29(27,28)20-15-12-18(13-16-20)14-17-23(26)24-22-11-7-9-19-8-5-6-10-21(19)22/h7,9,11-17H,3-6,8,10H2,1-2H3,(H,24,26)/b17-14+.
What are the key properties of (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide?
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide has a molecular weight of 412.56 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide is sourced from PubChem (CID 16545693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).