(E)-N-(2-cyclopentylsulfanylethyl)-3-(2,4-dichlorophenyl)prop-2-enamide

C16H19Cl2NOS — CID 100754959

IUPAC(E)-N-(2-cyclopentylsulfanylethyl)-3-(2,4-dichlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)NCCSC1CCCC1
InChIInChI=1S/C16H19Cl2NOS/c17-13-7-5-12(15(18)11-13)6-8-16(20)19-9-10-21-14-3-1-2-4-14/h5-8,11,14H,1-4,9-10H2,(H,19,20)/b8-6+
InChIKeyUECACAHHXCAJRT-SOFGYWHQSA-N
MW344.31 g/mol
LogP4.80
Rot. Bonds6

About (E)-N-(2-cyclopentylsulfanylethyl)-3-(2,4-dichlorophenyl)prop-2-enamide

(E)-N-(2-cyclopentylsulfanylethyl)-3-(2,4-dichlorophenyl)prop-2-enamide (PubChem CID 100754959) has the molecular formula C16H19Cl2NOS and a molecular weight of 344.31 g/mol. Its IUPAC name is (E)-N-(2-cyclopentylsulfanylethyl)-3-(2,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-cyclopentylsulfanylethyl)-3-(2,4-dichlorophenyl)prop-2-enamide
PubChem CID100754959
Molecular FormulaC16H19Cl2NOS
Molecular Weight344.31 g/mol
Exact Mass343.06
IUPAC Name(E)-N-(2-cyclopentylsulfanylethyl)-3-(2,4-dichlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)NCCSC1CCCC1
InChIInChI=1S/C16H19Cl2NOS/c17-13-7-5-12(15(18)11-13)6-8-16(20)19-9-10-21-14-3-1-2-4-14/h5-8,11,14H,1-4,9-10H2,(H,19,20)/b8-6+
InChIKeyUECACAHHXCAJRT-SOFGYWHQSA-N
XLogP4.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 6113892
2,4-dichloro-N-(2-cyclopentylsulfanylethyl)benzamide
CID 94101556
(E)-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-3-(2,4-dichlorophenyl)prop-2-enamide
CID 51604937
(E)-N-(4-aminobutyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 82335727
(E)-N-cycloheptyl-3-(2,4-dichlorophenyl)prop-2-enamide
CID 895594
(E)-N-cyclooctyl-3-(2,4-dichlorophenyl)prop-2-enamide
CID 6042674
(E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide
CID 6166785
(E)-3-(2,4-dichlorophenyl)-N-(5-hydroxypentyl)prop-2-enamide
CID 107318451
(E)-N-(2-cyclohexylsulfanylethyl)-3-(4-fluorophenyl)prop-2-enamide
CID 2176425
2-[3-(2,4-dichlorophenyl)prop-2-enoylamino]acetic acid
CID 3322960
N-[2-(3-chlorophenyl)ethyl]-3-(2,4-dichlorophenyl)prop-2-enamide
CID 5056399
(E)-N-(2-cyclopentylsulfanylethyl)-3-(4-nitrophenyl)prop-2-enamide
CID 94101564

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-cyclopentylsulfanylethyl)-3-(2,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-cyclopentylsulfanylethyl)-3-(2,4-dichlorophenyl)prop-2-enamide (CID 100754959) is (E)-N-(2-cyclopentylsulfanylethyl)-3-(2,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-cyclopentylsulfanylethyl)-3-(2,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-cyclopentylsulfanylethyl)-3-(2,4-dichlorophenyl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1Cl)NCCSC1CCCC1.
What is the InChIKey of (E)-N-(2-cyclopentylsulfanylethyl)-3-(2,4-dichlorophenyl)prop-2-enamide?
The InChIKey is UECACAHHXCAJRT-SOFGYWHQSA-N. The full InChI is InChI=1S/C16H19Cl2NOS/c17-13-7-5-12(15(18)11-13)6-8-16(20)19-9-10-21-14-3-1-2-4-14/h5-8,11,14H,1-4,9-10H2,(H,19,20)/b8-6+.
What are the key properties of (E)-N-(2-cyclopentylsulfanylethyl)-3-(2,4-dichlorophenyl)prop-2-enamide?
(E)-N-(2-cyclopentylsulfanylethyl)-3-(2,4-dichlorophenyl)prop-2-enamide has a molecular weight of 344.31 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-cyclopentylsulfanylethyl)-3-(2,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 100754959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).