(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-phenylprop-2-enamide

C20H24N2O3S — CID 7688966

IUPAC(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-phenylprop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C20H24N2O3S/c1-4-22(5-2)26(24,25)18-13-11-16(3)19(15-18)21-20(23)14-12-17-9-7-6-8-10-17/h6-15H,4-5H2,1-3H3,(H,21,23)/b14-12+
InChIKeyPBWZFKQPUODSDA-WYMLVPIESA-N
MW372.49 g/mol
LogP3.68
Rot. Bonds7

About (E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-phenylprop-2-enamide

(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-phenylprop-2-enamide (PubChem CID 7688966) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is (E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-phenylprop-2-enamide
PubChem CID7688966
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-phenylprop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C20H24N2O3S/c1-4-22(5-2)26(24,25)18-13-11-16(3)19(15-18)21-20(23)14-12-17-9-7-6-8-10-17/h6-15H,4-5H2,1-3H3,(H,21,23)/b14-12+
InChIKeyPBWZFKQPUODSDA-WYMLVPIESA-N
XLogP3.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.68
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

(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 7688971
3-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 78783898
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-phenylprop-2-enamide
CID 4797773
(E)-N-(4-acetamido-3-methylphenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 46551494
2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 3606084
(E)-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 78848236
(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 16591668
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 16545693
(E)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 26774017
[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-phenylprop-2-enoate
CID 71953474
(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide
CID 14597871
3-[[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]amino]-5-fluoro-4-methylbenzamide
CID 46486254

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-phenylprop-2-enamide (CID 7688966) is (E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-phenylprop-2-enamide is CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)/C=C/c2ccccc2)c1.
What is the InChIKey of (E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-phenylprop-2-enamide?
The InChIKey is PBWZFKQPUODSDA-WYMLVPIESA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-4-22(5-2)26(24,25)18-13-11-16(3)19(15-18)21-20(23)14-12-17-9-7-6-8-10-17/h6-15H,4-5H2,1-3H3,(H,21,23)/b14-12+.
What are the key properties of (E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-phenylprop-2-enamide?
(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-phenylprop-2-enamide has a molecular weight of 372.49 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 7688966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).