(E)-3-(2-chlorophenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]prop-2-enamide

C19H15ClN2OS — CID 91625800

IUPAC(E)-3-(2-chlorophenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)NCc1cccnc1-c1cccs1
InChIInChI=1S/C19H15ClN2OS/c20-16-7-2-1-5-14(16)9-10-18(23)22-13-15-6-3-11-21-19(15)17-8-4-12-24-17/h1-12H,13H2,(H,22,23)/b10-9+
InChIKeyAQEHKJYVBNJIBE-MDZDMXLPSA-N
MW354.86 g/mol
LogP4.79
Rot. Bonds5

About (E)-3-(2-chlorophenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]prop-2-enamide

(E)-3-(2-chlorophenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]prop-2-enamide (PubChem CID 91625800) has the molecular formula C19H15ClN2OS and a molecular weight of 354.86 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]prop-2-enamide
PubChem CID91625800
Molecular FormulaC19H15ClN2OS
Molecular Weight354.86 g/mol
Exact Mass354.06
IUPAC Name(E)-3-(2-chlorophenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)NCc1cccnc1-c1cccs1
InChIInChI=1S/C19H15ClN2OS/c20-16-7-2-1-5-14(16)9-10-18(23)22-13-15-6-3-11-21-19(15)17-8-4-12-24-17/h1-12H,13H2,(H,22,23)/b10-9+
InChIKeyAQEHKJYVBNJIBE-MDZDMXLPSA-N
XLogP4.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 54.79
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]prop-2-enamide (CID 91625800) is (E)-3-(2-chlorophenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]prop-2-enamide is O=C(/C=C/c1ccccc1Cl)NCc1cccnc1-c1cccs1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]prop-2-enamide?
The InChIKey is AQEHKJYVBNJIBE-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H15ClN2OS/c20-16-7-2-1-5-14(16)9-10-18(23)22-13-15-6-3-11-21-19(15)17-8-4-12-24-17/h1-12H,13H2,(H,22,23)/b10-9+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]prop-2-enamide has a molecular weight of 354.86 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]prop-2-enamide is sourced from PubChem (CID 91625800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).