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

C18H19ClN2O3S — CID 24614000

IUPAC(E)-3-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]prop-2-enamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)/C=C/c1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O3S/c1-21(2)25(23,24)17-9-4-3-7-15(17)13-20-18(22)11-10-14-6-5-8-16(19)12-14/h3-12H,13H2,1-2H3,(H,20,22)/b11-10+
InChIKeyRCPKMNVBIUXFNX-ZHACJKMWSA-N
MW378.88 g/mol
LogP2.92
Rot. Bonds6

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

(E)-3-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]prop-2-enamide (PubChem CID 24614000) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is (E)-3-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]prop-2-enamide
PubChem CID24614000
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name(E)-3-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]prop-2-enamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)/C=C/c1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O3S/c1-21(2)25(23,24)17-9-4-3-7-15(17)13-20-18(22)11-10-14-6-5-8-16(19)12-14/h3-12H,13H2,1-2H3,(H,20,22)/b11-10+
InChIKeyRCPKMNVBIUXFNX-ZHACJKMWSA-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
3-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 4796977
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylbut-2-enamide
CID 47143995
(E)-N-[(2-chlorophenyl)methyl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide
CID 39896084
(E)-3-(3-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]prop-2-enamide
CID 42965044
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]prop-2-enamide
CID 41267079
[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate
CID 31164490
3-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide
CID 896013
(E)-3-(3-chlorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]prop-2-enamide
CID 35955552
(E)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(4-chlorophenyl)prop-2-enamide
CID 60590533
(E)-3-(3-chlorophenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]prop-2-enamide
CID 9481219
(E)-3-(3-chlorophenyl)-N-[7-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]heptyl]prop-2-enamide
CID 6167041

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]prop-2-enamide (CID 24614000) is (E)-3-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]prop-2-enamide is CN(C)S(=O)(=O)c1ccccc1CNC(=O)/C=C/c1cccc(Cl)c1.
What is the InChIKey of (E)-3-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]prop-2-enamide?
The InChIKey is RCPKMNVBIUXFNX-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-21(2)25(23,24)17-9-4-3-7-15(17)13-20-18(22)11-10-14-6-5-8-16(19)12-14/h3-12H,13H2,1-2H3,(H,20,22)/b11-10+.
What are the key properties of (E)-3-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]prop-2-enamide?
(E)-3-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]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)-3-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 24614000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).