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

C19H21ClN2O2S — CID 124760652

IUPAC(E)-3-(2-chlorophenyl)-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)NC[C@H](c1ccco1)N1CCSCC1
InChIInChI=1S/C19H21ClN2O2S/c20-16-5-2-1-4-15(16)7-8-19(23)21-14-17(18-6-3-11-24-18)22-9-12-25-13-10-22/h1-8,11,17H,9-10,12-14H2,(H,21,23)/b8-7+/t17-/m1/s1
InChIKeyOJBFMGLXGRRFJV-IWAYRVGRSA-N
MW376.91 g/mol
LogP3.85
Rot. Bonds6

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

(E)-3-(2-chlorophenyl)-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide (PubChem CID 124760652) has the molecular formula C19H21ClN2O2S and a molecular weight of 376.91 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide
PubChem CID124760652
Molecular FormulaC19H21ClN2O2S
Molecular Weight376.91 g/mol
Exact Mass376.10
IUPAC Name(E)-3-(2-chlorophenyl)-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)NC[C@H](c1ccco1)N1CCSCC1
InChIInChI=1S/C19H21ClN2O2S/c20-16-5-2-1-4-15(16)7-8-19(23)21-14-17(18-6-3-11-24-18)22-9-12-25-13-10-22/h1-8,11,17H,9-10,12-14H2,(H,21,23)/b8-7+/t17-/m1/s1
InChIKeyOJBFMGLXGRRFJV-IWAYRVGRSA-N
XLogP3.85
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(2-chlorophenyl)-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-nitrophenyl)prop-2-enamide
CID 51162670
2-chloro-6-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]benzamide
CID 124759832
(E)-3-(5-bromo-2-methoxyphenyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]prop-2-enamide
CID 37226287
methyl 4-[[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]carbamoyl]benzoate
CID 124727899
(E)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpent-2-enamide
CID 110302493
N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-4-(trifluoromethyl)benzamide
CID 124878574
N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 124873929
(E)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 7972754
(E)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 42889429
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]prop-2-enamide
CID 51336080
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
(E)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 51162669

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide (CID 124760652) is (E)-3-(2-chlorophenyl)-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide is O=C(/C=C/c1ccccc1Cl)NC[C@H](c1ccco1)N1CCSCC1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide?
The InChIKey is OJBFMGLXGRRFJV-IWAYRVGRSA-N. The full InChI is InChI=1S/C19H21ClN2O2S/c20-16-5-2-1-4-15(16)7-8-19(23)21-14-17(18-6-3-11-24-18)22-9-12-25-13-10-22/h1-8,11,17H,9-10,12-14H2,(H,21,23)/b8-7+/t17-/m1/s1.
What are the key properties of (E)-3-(2-chlorophenyl)-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide has a molecular weight of 376.91 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide is sourced from PubChem (CID 124760652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).