(3R)-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C19H17NO5S — CID 129418313

IUPAC(3R)-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(NC[C@](O)(c1ccoc1)c1cccs1)[C@H]1COc2ccccc2O1
InChIInChI=1S/C19H17NO5S/c21-18(16-11-24-14-4-1-2-5-15(14)25-16)20-12-19(22,13-7-8-23-10-13)17-6-3-9-26-17/h1-10,16,22H,11-12H2,(H,20,21)/t16-,19+/m1/s1
InChIKeyZOQJVBLMOAQUDN-APWZRJJASA-N
MW371.41 g/mol
LogP2.53
Rot. Bonds5

About (3R)-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

(3R)-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 129418313) has the molecular formula C19H17NO5S and a molecular weight of 371.41 g/mol. Its IUPAC name is (3R)-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID129418313
Molecular FormulaC19H17NO5S
Molecular Weight371.41 g/mol
Exact Mass371.08
IUPAC Name(3R)-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(NC[C@](O)(c1ccoc1)c1cccs1)[C@H]1COc2ccccc2O1
InChIInChI=1S/C19H17NO5S/c21-18(16-11-24-14-4-1-2-5-15(14)25-16)20-12-19(22,13-7-8-23-10-13)17-6-3-9-26-17/h1-10,16,22H,11-12H2,(H,20,21)/t16-,19+/m1/s1
InChIKeyZOQJVBLMOAQUDN-APWZRJJASA-N
XLogP2.53
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-9H-xanthene-9-carboxamide
CID 129418180
2-(2-chlorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
CID 126852465
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-benzothiophene-2-carboxamide
CID 119101200
2-ethylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
CID 129416706
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 129417010
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 129417009
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,5-dimethylbenzamide
CID 124892781
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 119101192
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 121018502
N-[3-(furan-3-yl)-3-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 121132759
(3S)-N-[(2R)-2-methoxy-2-phenylbutyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 97428582
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 121019316

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of (3R)-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 129418313) is (3R)-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(NC[C@](O)(c1ccoc1)c1cccs1)[C@H]1COc2ccccc2O1.
What is the InChIKey of (3R)-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is ZOQJVBLMOAQUDN-APWZRJJASA-N. The full InChI is InChI=1S/C19H17NO5S/c21-18(16-11-24-14-4-1-2-5-15(14)25-16)20-12-19(22,13-7-8-23-10-13)17-6-3-9-26-17/h1-10,16,22H,11-12H2,(H,20,21)/t16-,19+/m1/s1.
What are the key properties of (3R)-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
(3R)-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 371.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 129418313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).