(E)-3-(furan-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]prop-2-enamide

C19H16N2O2S — CID 34425215

IUPAC(E)-3-(furan-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccc(SCc2cccnc2)cc1
InChIInChI=1S/C19H16N2O2S/c22-19(10-7-17-4-2-12-23-17)21-16-5-8-18(9-6-16)24-14-15-3-1-11-20-13-15/h1-13H,14H2,(H,21,22)/b10-7+
InChIKeySEPIOEMYOOHVQD-JXMROGBWSA-N
MW336.42 g/mol
LogP4.62
Rot. Bonds6

About (E)-3-(furan-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]prop-2-enamide (PubChem CID 34425215) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]prop-2-enamide
PubChem CID34425215
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name(E)-3-(furan-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccc(SCc2cccnc2)cc1
InChIInChI=1S/C19H16N2O2S/c22-19(10-7-17-4-2-12-23-17)21-16-5-8-18(9-6-16)24-14-15-3-1-11-20-13-15/h1-13H,14H2,(H,21,22)/b10-7+
InChIKeySEPIOEMYOOHVQD-JXMROGBWSA-N
XLogP4.62
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]prop-2-enamide
CID 33263182
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]prop-2-enamide
CID 16577485
4-chloro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide
CID 63309430
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]prop-2-enamide
CID 18281305
(E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]prop-2-enamide
CID 55465438
(2R)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 78973407
3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 36542434
N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 34425101
(Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 2298592
(E)-N-[4-[(dimethylamino)methyl]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 37243408
3-chloro-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 62727163

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]prop-2-enamide (CID 34425215) is (E)-3-(furan-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]prop-2-enamide is O=C(/C=C/c1ccco1)Nc1ccc(SCc2cccnc2)cc1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]prop-2-enamide?
The InChIKey is SEPIOEMYOOHVQD-JXMROGBWSA-N. The full InChI is InChI=1S/C19H16N2O2S/c22-19(10-7-17-4-2-12-23-17)21-16-5-8-18(9-6-16)24-14-15-3-1-11-20-13-15/h1-13H,14H2,(H,21,22)/b10-7+.
What are the key properties of (E)-3-(furan-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]prop-2-enamide has a molecular weight of 336.42 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]prop-2-enamide is sourced from PubChem (CID 34425215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).