(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide

C19H22N2O3S — CID 9328746

IUPAC(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide
SMILESCCc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C19H22N2O3S/c1-4-15-5-7-16(8-6-15)9-14-19(22)20-17-10-12-18(13-11-17)25(23,24)21(2)3/h5-14H,4H2,1-3H3,(H,20,22)/b14-9+
InChIKeyHLUMTLGTYHSVET-NTEUORMPSA-N
MW358.46 g/mol
LogP3.15
Rot. Bonds6

About (E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide

(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide (PubChem CID 9328746) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is (E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide
PubChem CID9328746
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide
SMILESCCc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C19H22N2O3S/c1-4-15-5-7-16(8-6-15)9-14-19(22)20-17-10-12-18(13-11-17)25(23,24)21(2)3/h5-14H,4H2,1-3H3,(H,20,22)/b14-9+
InChIKeyHLUMTLGTYHSVET-NTEUORMPSA-N
XLogP3.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.15
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

N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 3316575
(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)prop-2-enamide
CID 26863375
3-(3,4-dimethoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide
CID 1179409
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 24640586
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 1314257
(E)-N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
CID 1284374
(E)-N-[4-(cyclohexylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide
CID 19164284
(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 8917840
N-[4-(diethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1293099
(E)-3-(4-cyanophenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]prop-2-enamide
CID 26746912
(E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 6259894
(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 9428195

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide (CID 9328746) is (E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide is CCc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1.
What is the InChIKey of (E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide?
The InChIKey is HLUMTLGTYHSVET-NTEUORMPSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-4-15-5-7-16(8-6-15)9-14-19(22)20-17-10-12-18(13-11-17)25(23,24)21(2)3/h5-14H,4H2,1-3H3,(H,20,22)/b14-9+.
What are the key properties of (E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide?
(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide has a molecular weight of 358.46 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide is sourced from PubChem (CID 9328746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).