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

C18H19ClN2O3S — CID 39896084

IUPAC(E)-N-[(2-chlorophenyl)methyl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide
SMILESCN(C)S(=O)(=O)c1ccc(/C=C/C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C18H19ClN2O3S/c1-21(2)25(23,24)16-10-7-14(8-11-16)9-12-18(22)20-13-15-5-3-4-6-17(15)19/h3-12H,13H2,1-2H3,(H,20,22)/b12-9+
InChIKeyHAQVMTZKSMZRHO-FMIVXFBMSA-N
MW378.88 g/mol
LogP2.92
Rot. Bonds6

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

(E)-N-[(2-chlorophenyl)methyl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 39896084) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is (E)-N-[(2-chlorophenyl)methyl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2-chlorophenyl)methyl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide
PubChem CID39896084
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name(E)-N-[(2-chlorophenyl)methyl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide
SMILESCN(C)S(=O)(=O)c1ccc(/C=C/C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C18H19ClN2O3S/c1-21(2)25(23,24)16-10-7-14(8-11-16)9-12-18(22)20-13-15-5-3-4-6-17(15)19/h3-12H,13H2,1-2H3,(H,20,22)/b12-9+
InChIKeyHAQVMTZKSMZRHO-FMIVXFBMSA-N
XLogP2.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 52.92
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-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-phenylprop-2-enamide
CID 41266696
(E)-N-[(2-chlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 9079335
(E)-3-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]prop-2-enamide
CID 24614000
3-[4-(diethylsulfamoyl)phenyl]-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]prop-2-enamide
CID 55706454
(E)-3-(4-chloro-3-nitrophenyl)-N-[(2-chlorophenyl)methyl]prop-2-enamide
CID 24639576
4-[(E)-3-[(2-chlorophenyl)methylamino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 35504342
N-[(2-chlorophenyl)methyl]-3-(3-fluorophenyl)prop-2-enamide
CID 4810781
N-[(2-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 2173194
3-[4-(dimethylsulfamoyl)phenyl]-N-(1,1-diphenylethyl)prop-2-enamide
CID 72686736
(E)-N-[(2-chlorophenyl)methyl]-3-[4-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 16652528
(E)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(4-chlorophenyl)prop-2-enamide
CID 60590533
(E)-N-[(2-chlorophenyl)methyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 9427455

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-chlorophenyl)methyl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[(2-chlorophenyl)methyl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide (CID 39896084) is (E)-N-[(2-chlorophenyl)methyl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[(2-chlorophenyl)methyl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[(2-chlorophenyl)methyl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide is CN(C)S(=O)(=O)c1ccc(/C=C/C(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of (E)-N-[(2-chlorophenyl)methyl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is HAQVMTZKSMZRHO-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-21(2)25(23,24)16-10-7-14(8-11-16)9-12-18(22)20-13-15-5-3-4-6-17(15)19/h3-12H,13H2,1-2H3,(H,20,22)/b12-9+.
What are the key properties of (E)-N-[(2-chlorophenyl)methyl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide?
(E)-N-[(2-chlorophenyl)methyl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 378.88 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-chlorophenyl)methyl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 39896084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).