N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxolane-3-carboxamide

C15H17NO3S — CID 91630865

IUPACN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxolane-3-carboxamide
SMILESO=C(NCC(O)c1csc2ccccc12)C1CCOC1
InChIInChI=1S/C15H17NO3S/c17-13(7-16-15(18)10-5-6-19-8-10)12-9-20-14-4-2-1-3-11(12)14/h1-4,9-10,13,17H,5-8H2,(H,16,18)
InChIKeyQWIMTYSNQFIPDC-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.09
Rot. Bonds4

About N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxolane-3-carboxamide

N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxolane-3-carboxamide (PubChem CID 91630865) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxolane-3-carboxamide
PubChem CID91630865
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxolane-3-carboxamide
SMILESO=C(NCC(O)c1csc2ccccc12)C1CCOC1
InChIInChI=1S/C15H17NO3S/c17-13(7-16-15(18)10-5-6-19-8-10)12-9-20-14-4-2-1-3-11(12)14/h1-4,9-10,13,17H,5-8H2,(H,16,18)
InChIKeyQWIMTYSNQFIPDC-UHFFFAOYSA-N
XLogP2.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Benzo(b)thiophene-3-methanol, alpha-(pyrrolidinomethyl)-, hydrochloride
CID 23800
1-(1-Benzothiophen-3-yl)-2-(morpholin-4-yl)ethan-1-ol--hydrogen chloride (1/1)
CID 23869
N-[(R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-thenamide
CID 100724347
N-[(R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]3-[p-(trifluoromethyl)phenyl]propionamide
CID 100725346
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-phenyloxane-4-carboxamide
CID 56764035
N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)tetrahydrofuran-3-carboxamide
CID 86263991
N-(2-(benzo[b]thiophen-3-yl)-2-hydroxyethyl)-2-(cyclopentylthio)acetamide
CID 91630824
N-(2-(benzo[b]thiophen-3-yl)-2-hydroxyethyl)cyclohex-3-enecarboxamide
CID 91630853
N1-(2-(benzo[b]thiophen-3-yl)-2-hydroxyethyl)-N2-(thiophen-2-ylmethyl)oxalamide
CID 91630920
N-[(R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl](2,5-dioxo-1-pyrrolidinyl)acetamide
CID 100724436
N-[(R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl](4-biphenylyl)acetamide
CID 100724969
1-methyl-1-[N-(R)-2-(1-benzothiophen-3-yl)-2-hydroxyethylcarbamoyl]ethyl acetate
CID 100725474

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxolane-3-carboxamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxolane-3-carboxamide (CID 91630865) is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxolane-3-carboxamide is O=C(NCC(O)c1csc2ccccc12)C1CCOC1.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxolane-3-carboxamide?
The InChIKey is QWIMTYSNQFIPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c17-13(7-16-15(18)10-5-6-19-8-10)12-9-20-14-4-2-1-3-11(12)14/h1-4,9-10,13,17H,5-8H2,(H,16,18).
What are the key properties of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxolane-3-carboxamide?
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxolane-3-carboxamide has a molecular weight of 291.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxolane-3-carboxamide is sourced from PubChem (CID 91630865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).