(2R)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-2,3-dihydro-1-benzofuran-2-carboxamide

C21H18N2O2S — CID 26706020

IUPAC(2R)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESC=CCN(C(=O)[C@H]1Cc2ccccc2O1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C21H18N2O2S/c1-2-12-23(20(24)19-13-16-10-6-7-11-18(16)25-19)21-22-17(14-26-21)15-8-4-3-5-9-15/h2-11,14,19H,1,12-13H2/t19-/m1/s1
InChIKeyVFGPFBHFNXJLDV-LJQANCHMSA-N
MW362.45 g/mol
LogP4.33
Rot. Bonds5

About (2R)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-2,3-dihydro-1-benzofuran-2-carboxamide

(2R)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 26706020) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is (2R)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID26706020
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC Name(2R)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESC=CCN(C(=O)[C@H]1Cc2ccccc2O1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C21H18N2O2S/c1-2-12-23(20(24)19-13-16-10-6-7-11-18(16)25-19)21-22-17(14-26-21)15-8-4-3-5-9-15/h2-11,14,19H,1,12-13H2/t19-/m1/s1
InChIKeyVFGPFBHFNXJLDV-LJQANCHMSA-N
XLogP4.33
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-2,3-dihydro-1-benzofuran-2-carboxamide (CID 26706020) is (2R)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-2,3-dihydro-1-benzofuran-2-carboxamide is C=CCN(C(=O)[C@H]1Cc2ccccc2O1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of (2R)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is VFGPFBHFNXJLDV-LJQANCHMSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-2-12-23(20(24)19-13-16-10-6-7-11-18(16)25-19)21-22-17(14-26-21)15-8-4-3-5-9-15/h2-11,14,19H,1,12-13H2/t19-/m1/s1.
What are the key properties of (2R)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 26706020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).