N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide

C16H20N2O3S — CID 110880623

IUPACN-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCC(O)CN1CCOCC1)c1cc2ccccc2s1
InChIInChI=1S/C16H20N2O3S/c19-13(11-18-5-7-21-8-6-18)10-17-16(20)15-9-12-3-1-2-4-14(12)22-15/h1-4,9,13,19H,5-8,10-11H2,(H,17,20)
InChIKeyROGZNJCCHANYTJ-UHFFFAOYSA-N
MW320.41 g/mol
LogP1.32
Rot. Bonds5

About N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide

N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide (PubChem CID 110880623) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide
PubChem CID110880623
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCC(O)CN1CCOCC1)c1cc2ccccc2s1
InChIInChI=1S/C16H20N2O3S/c19-13(11-18-5-7-21-8-6-18)10-17-16(20)15-9-12-3-1-2-4-14(12)22-15/h1-4,9,13,19H,5-8,10-11H2,(H,17,20)
InChIKeyROGZNJCCHANYTJ-UHFFFAOYSA-N
XLogP1.32
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydroxypropyl)-1-benzothiophene-2-carboxamide
CID 66176243
N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide
CID 110209283
6-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)naphthalene-1-carboxamide
CID 126839955
N-(2-hydroxy-2-phenylethyl)-1-benzothiophene-2-carboxamide
CID 43393393
N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzothiophene-2-carboxamide
CID 46512703
N-(2-morpholin-4-ylpyrimidin-5-yl)-1-benzothiophene-2-carboxamide
CID 122298901
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-1-benzothiophene-2-carboxamide
CID 122321620
N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-benzofuran-3-carboxamide
CID 97245650
methyl 3-(1-benzothiophene-2-carbonylamino)-2-hydroxypropanoate
CID 103879191
N-(2-hydroxy-3-morpholin-4-ylpropyl)indolizine-1-carboxamide
CID 154766043
N-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide
CID 60682166
N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1H-pyrrole-3-carboxamide
CID 141060612

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide (CID 110880623) is N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide is O=C(NCC(O)CN1CCOCC1)c1cc2ccccc2s1.
What is the InChIKey of N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide?
The InChIKey is ROGZNJCCHANYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c19-13(11-18-5-7-21-8-6-18)10-17-16(20)15-9-12-3-1-2-4-14(12)22-15/h1-4,9,13,19H,5-8,10-11H2,(H,17,20).
What are the key properties of N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide?
N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 110880623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).