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

C18H19ClN2O3S — CID 42965044

IUPAC(E)-3-(3-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2cccc(Cl)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H19ClN2O3S/c1-13-7-9-16(12-17(13)25(23,24)21(2)3)20-18(22)10-8-14-5-4-6-15(19)11-14/h4-12H,1-3H3,(H,20,22)/b10-8+
InChIKeyPUKCSGSHEKBKED-CSKARUKUSA-N
MW378.88 g/mol
LogP3.55
Rot. Bonds5

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

(E)-3-(3-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]prop-2-enamide (PubChem CID 42965044) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is (E)-3-(3-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]prop-2-enamide
PubChem CID42965044
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name(E)-3-(3-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2cccc(Cl)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H19ClN2O3S/c1-13-7-9-16(12-17(13)25(23,24)21(2)3)20-18(22)10-8-14-5-4-6-15(19)11-14/h4-12H,1-3H3,(H,20,22)/b10-8+
InChIKeyPUKCSGSHEKBKED-CSKARUKUSA-N
XLogP3.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.55
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)-3-(3-chlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9140915
(E)-3-(3-chlorophenyl)-N-(4-methylsulfonylphenyl)prop-2-enamide
CID 42994544
N-(3-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]acetamide
CID 55680503
3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 3527229
(E)-3-(3-bromophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]prop-2-enamide
CID 9106995
(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)prop-2-enamide
CID 26863375
(E)-3-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]prop-2-enamide
CID 24614000
(E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 9106601
(E)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 6180383
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 4666704
3-(3-chlorophenyl)-N-phenylprop-2-enamide
CID 4251489
(E)-3-(3-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 1220149

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]prop-2-enamide (CID 42965044) is (E)-3-(3-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]prop-2-enamide is Cc1ccc(NC(=O)/C=C/c2cccc(Cl)c2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of (E)-3-(3-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]prop-2-enamide?
The InChIKey is PUKCSGSHEKBKED-CSKARUKUSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-13-7-9-16(12-17(13)25(23,24)21(2)3)20-18(22)10-8-14-5-4-6-15(19)11-14/h4-12H,1-3H3,(H,20,22)/b10-8+.
What are the key properties of (E)-3-(3-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]prop-2-enamide?
(E)-3-(3-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]prop-2-enamide has a molecular weight of 378.88 g/mol, XLogP of 3.55, 5 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-[3-(dimethylsulfamoyl)-4-methylphenyl]prop-2-enamide is sourced from PubChem (CID 42965044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).