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

C14H20N2O3S — CID 66675297

IUPACN-[[4-(diethylsulfamoyl)phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C14H20N2O3S/c1-4-14(17)15-11-12-7-9-13(10-8-12)20(18,19)16(5-2)6-3/h4,7-10H,1,5-6,11H2,2-3H3,(H,15,17)
InChIKeyACXBBFPJSOLUTJ-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.52
Rot. Bonds7

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

N-[[4-(diethylsulfamoyl)phenyl]methyl]prop-2-enamide (PubChem CID 66675297) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[[4-(diethylsulfamoyl)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[4-(diethylsulfamoyl)phenyl]methyl]prop-2-enamide
PubChem CID66675297
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-[[4-(diethylsulfamoyl)phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C14H20N2O3S/c1-4-14(17)15-11-12-7-9-13(10-8-12)20(18,19)16(5-2)6-3/h4,7-10H,1,5-6,11H2,2-3H3,(H,15,17)
InChIKeyACXBBFPJSOLUTJ-UHFFFAOYSA-N
XLogP1.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.52
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

1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715770
N-[[4-(diethylsulfamoyl)phenyl]methyl]cyclobutanecarboxamide
CID 8820497
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]prop-2-enamide
CID 24584151
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
CID 31747284
5-acetamido-N-[[4-(diethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 24610904
N-[3-[[4-(acetamidomethyl)phenyl]sulfonyl-methylamino]propyl]prop-2-enamide
CID 89237601
N-[[4-(methanesulfonamido)phenyl]methyl]prop-2-enamide
CID 57203958
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 26591286
N-[[4-[(4-methylphenyl)sulfamoyl]phenyl]methyl]prop-2-enamide
CID 57217486
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38168942
2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-phenylacetamide
CID 119272071

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]prop-2-enamide?
The IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]prop-2-enamide (CID 66675297) is N-[[4-(diethylsulfamoyl)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[4-(diethylsulfamoyl)phenyl]methyl]prop-2-enamide?
The canonical SMILES for N-[[4-(diethylsulfamoyl)phenyl]methyl]prop-2-enamide is C=CC(=O)NCc1ccc(S(=O)(=O)N(CC)CC)cc1.
What is the InChIKey of N-[[4-(diethylsulfamoyl)phenyl]methyl]prop-2-enamide?
The InChIKey is ACXBBFPJSOLUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-4-14(17)15-11-12-7-9-13(10-8-12)20(18,19)16(5-2)6-3/h4,7-10H,1,5-6,11H2,2-3H3,(H,15,17).
What are the key properties of N-[[4-(diethylsulfamoyl)phenyl]methyl]prop-2-enamide?
N-[[4-(diethylsulfamoyl)phenyl]methyl]prop-2-enamide has a molecular weight of 296.39 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylsulfamoyl)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 66675297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).