(E)-N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-(2-methoxyphenyl)prop-2-enamide

C19H19ClFNO2S — CID 2176380

IUPAC(E)-N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)NCCSCc1c(F)cccc1Cl
InChIInChI=1S/C19H19ClFNO2S/c1-24-18-8-3-2-5-14(18)9-10-19(23)22-11-12-25-13-15-16(20)6-4-7-17(15)21/h2-10H,11-13H2,1H3,(H,22,23)/b10-9+
InChIKeyZCGZKAGYKHQAJO-MDZDMXLPSA-N
MW379.88 g/mol
LogP4.55
Rot. Bonds8

About (E)-N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-(2-methoxyphenyl)prop-2-enamide

(E)-N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 2176380) has the molecular formula C19H19ClFNO2S and a molecular weight of 379.88 g/mol. Its IUPAC name is (E)-N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID2176380
Molecular FormulaC19H19ClFNO2S
Molecular Weight379.88 g/mol
Exact Mass379.08
IUPAC Name(E)-N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)NCCSCc1c(F)cccc1Cl
InChIInChI=1S/C19H19ClFNO2S/c1-24-18-8-3-2-5-14(18)9-10-19(23)22-11-12-25-13-15-16(20)6-4-7-17(15)21/h2-10H,11-13H2,1H3,(H,22,23)/b10-9+
InChIKeyZCGZKAGYKHQAJO-MDZDMXLPSA-N
XLogP4.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.88
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-(2-methoxyphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[2-(4-chlorophenyl)sulfanylethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 2176452
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 30398881
(E)-N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 9217685
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-2-phenylacetamide
CID 3486493
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-2-(2-fluorophenyl)acetamide
CID 100635401
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]cyclopropanecarboxamide
CID 100610014
2-[3-(2-methoxyphenyl)prop-2-enoylamino]acetyl chloride
CID 57046657
(2R)-N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-2-phenoxybutanamide
CID 9173558
N-heptyl-3-(2-methoxyphenyl)prop-2-enamide
CID 3506378
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 4797449
5-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-2-methylpentanoic acid
CID 104682529
3,4-dimethoxy-N-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide
CID 108935148

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-(2-methoxyphenyl)prop-2-enamide (CID 2176380) is (E)-N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1/C=C/C(=O)NCCSCc1c(F)cccc1Cl.
What is the InChIKey of (E)-N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is ZCGZKAGYKHQAJO-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H19ClFNO2S/c1-24-18-8-3-2-5-14(18)9-10-19(23)22-11-12-25-13-15-16(20)6-4-7-17(15)21/h2-10H,11-13H2,1H3,(H,22,23)/b10-9+.
What are the key properties of (E)-N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-(2-methoxyphenyl)prop-2-enamide?
(E)-N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 379.88 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 2176380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).