(4R)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide

C16H24N2O3S — CID 97245616

IUPAC(4R)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
SMILESO=C(NC[C@@H](O)CN1CCOCC1)[C@@H]1CCCc2sccc21
InChIInChI=1S/C16H24N2O3S/c19-12(11-18-5-7-21-8-6-18)10-17-16(20)14-2-1-3-15-13(14)4-9-22-15/h4,9,12,14,19H,1-3,5-8,10-11H2,(H,17,20)/t12-,14-/m1/s1
InChIKeyZGCWALOTDZFAIU-TZMCWYRMSA-N
MW324.45 g/mol
LogP0.98
Rot. Bonds5

About (4R)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide

(4R)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide (PubChem CID 97245616) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is (4R)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
PubChem CID97245616
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name(4R)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
SMILESO=C(NC[C@@H](O)CN1CCOCC1)[C@@H]1CCCc2sccc21
InChIInChI=1S/C16H24N2O3S/c19-12(11-18-5-7-21-8-6-18)10-17-16(20)14-2-1-3-15-13(14)4-9-22-15/h4,9,12,14,19H,1-3,5-8,10-11H2,(H,17,20)/t12-,14-/m1/s1
InChIKeyZGCWALOTDZFAIU-TZMCWYRMSA-N
XLogP0.98
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide?
The IUPAC name of (4R)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide (CID 97245616) is (4R)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide.
What is the SMILES notation for (4R)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide?
The canonical SMILES for (4R)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide is O=C(NC[C@@H](O)CN1CCOCC1)[C@@H]1CCCc2sccc21.
What is the InChIKey of (4R)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide?
The InChIKey is ZGCWALOTDZFAIU-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H24N2O3S/c19-12(11-18-5-7-21-8-6-18)10-17-16(20)14-2-1-3-15-13(14)4-9-22-15/h4,9,12,14,19H,1-3,5-8,10-11H2,(H,17,20)/t12-,14-/m1/s1.
What are the key properties of (4R)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide?
(4R)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide is sourced from PubChem (CID 97245616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).