(E)-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-phenylprop-2-enamide

C19H17NO3S — CID 100687563

IUPAC(E)-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NC[C@@](O)(c1ccco1)c1cccs1
InChIInChI=1S/C19H17NO3S/c21-18(11-10-15-6-2-1-3-7-15)20-14-19(22,16-8-4-12-23-16)17-9-5-13-24-17/h1-13,22H,14H2,(H,20,21)/b11-10+/t19-/m1/s1
InChIKeyNYMACQRDSOTDIL-GNISGLHKSA-N
MW339.42 g/mol
LogP3.41
Rot. Bonds6

About (E)-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-phenylprop-2-enamide

(E)-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-phenylprop-2-enamide (PubChem CID 100687563) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is (E)-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-phenylprop-2-enamide
PubChem CID100687563
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name(E)-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NC[C@@](O)(c1ccco1)c1cccs1
InChIInChI=1S/C19H17NO3S/c21-18(11-10-15-6-2-1-3-7-15)20-14-19(22,16-8-4-12-23-16)17-9-5-13-24-17/h1-13,22H,14H2,(H,20,21)/b11-10+/t19-/m1/s1
InChIKeyNYMACQRDSOTDIL-GNISGLHKSA-N
XLogP3.41
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-phenylethenesulfonamide
CID 117054904
N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-methylbenzamide
CID 100687429
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-methylbenzamide
CID 91816630
(E)-N-[(2S)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide
CID 129355308
(E)-3-(furan-3-yl)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]prop-2-enamide
CID 124875177
(E)-3-(furan-3-yl)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]prop-2-enamide
CID 124875174
N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-3-ylprop-2-enamide
CID 171137083
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 129416791
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide
CID 100687794
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-thiophen-2-ylprop-2-enamide
CID 171130567
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
CID 91816673
2-cyclopentylsulfanyl-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
CID 91816644

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-phenylprop-2-enamide (CID 100687563) is (E)-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NC[C@@](O)(c1ccco1)c1cccs1.
What is the InChIKey of (E)-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-phenylprop-2-enamide?
The InChIKey is NYMACQRDSOTDIL-GNISGLHKSA-N. The full InChI is InChI=1S/C19H17NO3S/c21-18(11-10-15-6-2-1-3-7-15)20-14-19(22,16-8-4-12-23-16)17-9-5-13-24-17/h1-13,22H,14H2,(H,20,21)/b11-10+/t19-/m1/s1.
What are the key properties of (E)-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-phenylprop-2-enamide?
(E)-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-phenylprop-2-enamide has a molecular weight of 339.42 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 100687563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).