N-[4-hydroxy-3-[3-(5-methylfuran-2-yl)thiomorpholine-4-carbonyl]phenyl]prop-2-enamide

C19H20N2O4S — CID 167808884

IUPACN-[4-hydroxy-3-[3-(5-methylfuran-2-yl)thiomorpholine-4-carbonyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(O)c(C(=O)N2CCSCC2c2ccc(C)o2)c1
InChIInChI=1S/C19H20N2O4S/c1-3-18(23)20-13-5-6-16(22)14(10-13)19(24)21-8-9-26-11-15(21)17-7-4-12(2)25-17/h3-7,10,15,22H,1,8-9,11H2,2H3,(H,20,23)
InChIKeyMKYAAIPVZXJPGM-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.35
Rot. Bonds4

About N-[4-hydroxy-3-[3-(5-methylfuran-2-yl)thiomorpholine-4-carbonyl]phenyl]prop-2-enamide

N-[4-hydroxy-3-[3-(5-methylfuran-2-yl)thiomorpholine-4-carbonyl]phenyl]prop-2-enamide (PubChem CID 167808884) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[4-hydroxy-3-[3-(5-methylfuran-2-yl)thiomorpholine-4-carbonyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-hydroxy-3-[3-(5-methylfuran-2-yl)thiomorpholine-4-carbonyl]phenyl]prop-2-enamide
PubChem CID167808884
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-[4-hydroxy-3-[3-(5-methylfuran-2-yl)thiomorpholine-4-carbonyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(O)c(C(=O)N2CCSCC2c2ccc(C)o2)c1
InChIInChI=1S/C19H20N2O4S/c1-3-18(23)20-13-5-6-16(22)14(10-13)19(24)21-8-9-26-11-15(21)17-7-4-12(2)25-17/h3-7,10,15,22H,1,8-9,11H2,2H3,(H,20,23)
InChIKeyMKYAAIPVZXJPGM-UHFFFAOYSA-N
XLogP3.35
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-3-[3-(5-methylfuran-2-yl)thiomorpholine-4-carbonyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-hydroxy-3-[3-(5-methylfuran-2-yl)thiomorpholine-4-carbonyl]phenyl]prop-2-enamide (CID 167808884) is N-[4-hydroxy-3-[3-(5-methylfuran-2-yl)thiomorpholine-4-carbonyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-hydroxy-3-[3-(5-methylfuran-2-yl)thiomorpholine-4-carbonyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-hydroxy-3-[3-(5-methylfuran-2-yl)thiomorpholine-4-carbonyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(O)c(C(=O)N2CCSCC2c2ccc(C)o2)c1.
What is the InChIKey of N-[4-hydroxy-3-[3-(5-methylfuran-2-yl)thiomorpholine-4-carbonyl]phenyl]prop-2-enamide?
The InChIKey is MKYAAIPVZXJPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-3-18(23)20-13-5-6-16(22)14(10-13)19(24)21-8-9-26-11-15(21)17-7-4-12(2)25-17/h3-7,10,15,22H,1,8-9,11H2,2H3,(H,20,23).
What are the key properties of N-[4-hydroxy-3-[3-(5-methylfuran-2-yl)thiomorpholine-4-carbonyl]phenyl]prop-2-enamide?
N-[4-hydroxy-3-[3-(5-methylfuran-2-yl)thiomorpholine-4-carbonyl]phenyl]prop-2-enamide has a molecular weight of 372.45 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-3-[3-(5-methylfuran-2-yl)thiomorpholine-4-carbonyl]phenyl]prop-2-enamide is sourced from PubChem (CID 167808884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).