(E)-3-(furan-3-yl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide

C17H20N2O3S — CID 124760459

IUPAC(E)-3-(furan-3-yl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccoc1)NC[C@H](c1ccoc1)N1CCSCC1
InChIInChI=1S/C17H20N2O3S/c20-17(2-1-14-3-7-21-12-14)18-11-16(15-4-8-22-13-15)19-5-9-23-10-6-19/h1-4,7-8,12-13,16H,5-6,9-11H2,(H,18,20)/b2-1+/t16-/m1/s1
InChIKeyMJTNJXXLMDQOIW-XGBNDESESA-N
MW332.42 g/mol
LogP2.79
Rot. Bonds6

About (E)-3-(furan-3-yl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide

(E)-3-(furan-3-yl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide (PubChem CID 124760459) has the molecular formula C17H20N2O3S and a molecular weight of 332.42 g/mol. Its IUPAC name is (E)-3-(furan-3-yl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-3-yl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide
PubChem CID124760459
Molecular FormulaC17H20N2O3S
Molecular Weight332.42 g/mol
Exact Mass332.12
IUPAC Name(E)-3-(furan-3-yl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccoc1)NC[C@H](c1ccoc1)N1CCSCC1
InChIInChI=1S/C17H20N2O3S/c20-17(2-1-14-3-7-21-12-14)18-11-16(15-4-8-22-13-15)19-5-9-23-10-6-19/h1-4,7-8,12-13,16H,5-6,9-11H2,(H,18,20)/b2-1+/t16-/m1/s1
InChIKeyMJTNJXXLMDQOIW-XGBNDESESA-N
XLogP2.79
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]acetamide
CID 124878348
N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]furan-2-carboxamide
CID 124760075
N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2-oxoimidazolidine-1-carboxamide
CID 124874264
N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]thiophene-3-carboxamide
CID 124874245
N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxane-4-carboxamide
CID 124878531
N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide
CID 124760721
N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-N-(2-methoxyethyl)oxamide
CID 124878570
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxamide
CID 124875632
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxamide
CID 124873494
3-(benzenesulfonyl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]propanamide
CID 124727763
1-(4-butoxyphenyl)-3-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]urea
CID 124878555
N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-3-methoxybenzamide
CID 124875456

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-3-yl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-3-yl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide (CID 124760459) is (E)-3-(furan-3-yl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-3-yl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-3-yl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide is O=C(/C=C/c1ccoc1)NC[C@H](c1ccoc1)N1CCSCC1.
What is the InChIKey of (E)-3-(furan-3-yl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide?
The InChIKey is MJTNJXXLMDQOIW-XGBNDESESA-N. The full InChI is InChI=1S/C17H20N2O3S/c20-17(2-1-14-3-7-21-12-14)18-11-16(15-4-8-22-13-15)19-5-9-23-10-6-19/h1-4,7-8,12-13,16H,5-6,9-11H2,(H,18,20)/b2-1+/t16-/m1/s1.
What are the key properties of (E)-3-(furan-3-yl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide?
(E)-3-(furan-3-yl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide has a molecular weight of 332.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-3-yl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide is sourced from PubChem (CID 124760459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).