3-[4-(dimethylsulfamoyl)phenyl]-N-(1,1-diphenylethyl)prop-2-enamide

C25H26N2O3S — CID 72686736

IUPAC3-[4-(dimethylsulfamoyl)phenyl]-N-(1,1-diphenylethyl)prop-2-enamide
SMILESCN(C)S(=O)(=O)c1ccc(C=CC(=O)NC(C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H26N2O3S/c1-25(21-10-6-4-7-11-21,22-12-8-5-9-13-22)26-24(28)19-16-20-14-17-23(18-15-20)31(29,30)27(2)3/h4-19H,1-3H3,(H,26,28)
InChIKeyPLAMGCXBVANXRK-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.03
Rot. Bonds7

About 3-[4-(dimethylsulfamoyl)phenyl]-N-(1,1-diphenylethyl)prop-2-enamide

3-[4-(dimethylsulfamoyl)phenyl]-N-(1,1-diphenylethyl)prop-2-enamide (PubChem CID 72686736) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is 3-[4-(dimethylsulfamoyl)phenyl]-N-(1,1-diphenylethyl)prop-2-enamide.

Molecular Properties

Compound Name3-[4-(dimethylsulfamoyl)phenyl]-N-(1,1-diphenylethyl)prop-2-enamide
PubChem CID72686736
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC Name3-[4-(dimethylsulfamoyl)phenyl]-N-(1,1-diphenylethyl)prop-2-enamide
SMILESCN(C)S(=O)(=O)c1ccc(C=CC(=O)NC(C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H26N2O3S/c1-25(21-10-6-4-7-11-21,22-12-8-5-9-13-22)26-24(28)19-16-20-14-17-23(18-15-20)31(29,30)27(2)3/h4-19H,1-3H3,(H,26,28)
InChIKeyPLAMGCXBVANXRK-UHFFFAOYSA-N
XLogP4.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.03
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

4-[(E)-3-[4-(dimethylsulfamoyl)phenyl]-3-oxoprop-1-enyl]benzoic acid
CID 6393649
(E)-N-[(2-chlorophenyl)methyl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide
CID 39896084
4-(dimethylsulfamoyl)-N-(2-phenylpropan-2-yl)benzamide
CID 113091738
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 3316575
(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide
CID 9328746
(E)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-phenylprop-2-enamide
CID 41266696
(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)prop-2-enamide
CID 26863375
(E)-N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
CID 1284374
(E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-(1,1-diphenylethyl)prop-2-enamide
CID 56523661
(E)-3-[4-(dimethylsulfamoyl)phenyl]-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]prop-2-enamide
CID 86954439
N-methyl-4-[(E)-3-oxobut-1-enyl]-N-phosphanylbenzenesulfonamide
CID 170239284
N-[3-(dimethylsulfamoyl)phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 3377274

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylsulfamoyl)phenyl]-N-(1,1-diphenylethyl)prop-2-enamide?
The IUPAC name of 3-[4-(dimethylsulfamoyl)phenyl]-N-(1,1-diphenylethyl)prop-2-enamide (CID 72686736) is 3-[4-(dimethylsulfamoyl)phenyl]-N-(1,1-diphenylethyl)prop-2-enamide.
What is the SMILES notation for 3-[4-(dimethylsulfamoyl)phenyl]-N-(1,1-diphenylethyl)prop-2-enamide?
The canonical SMILES for 3-[4-(dimethylsulfamoyl)phenyl]-N-(1,1-diphenylethyl)prop-2-enamide is CN(C)S(=O)(=O)c1ccc(C=CC(=O)NC(C)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3-[4-(dimethylsulfamoyl)phenyl]-N-(1,1-diphenylethyl)prop-2-enamide?
The InChIKey is PLAMGCXBVANXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-25(21-10-6-4-7-11-21,22-12-8-5-9-13-22)26-24(28)19-16-20-14-17-23(18-15-20)31(29,30)27(2)3/h4-19H,1-3H3,(H,26,28).
What are the key properties of 3-[4-(dimethylsulfamoyl)phenyl]-N-(1,1-diphenylethyl)prop-2-enamide?
3-[4-(dimethylsulfamoyl)phenyl]-N-(1,1-diphenylethyl)prop-2-enamide has a molecular weight of 434.56 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylsulfamoyl)phenyl]-N-(1,1-diphenylethyl)prop-2-enamide is sourced from PubChem (CID 72686736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).