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

C16H19NO3S — CID 86263991

IUPACN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]oxolane-3-carboxamide
SMILESCC(O)(CNC(=O)C1CCOC1)c1cc2ccccc2s1
InChIInChI=1S/C16H19NO3S/c1-16(19,10-17-15(18)12-6-7-20-9-12)14-8-11-4-2-3-5-13(11)21-14/h2-5,8,12,19H,6-7,9-10H2,1H3,(H,17,18)
InChIKeyMPTKQTSDHUZHNJ-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.26
Rot. Bonds4

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

N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]oxolane-3-carboxamide (PubChem CID 86263991) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]oxolane-3-carboxamide
PubChem CID86263991
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]oxolane-3-carboxamide
SMILESCC(O)(CNC(=O)C1CCOC1)c1cc2ccccc2s1
InChIInChI=1S/C16H19NO3S/c1-16(19,10-17-15(18)12-6-7-20-9-12)14-8-11-4-2-3-5-13(11)21-14/h2-5,8,12,19H,6-7,9-10H2,1H3,(H,17,18)
InChIKeyMPTKQTSDHUZHNJ-UHFFFAOYSA-N
XLogP2.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-3-(2-fluorophenyl)propanamide
CID 86263988
N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 86263970
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
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxolane-3-carboxamide
CID 91630865
N-[(S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]2,2-dimethylpropionamide
CID 99979804
N-[(S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl](2,5-dioxo-1-pyrrolidinyl)acetamide
CID 99979926
N-[(S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl](benzylthio)acetamide
CID 99980026
N-[(S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]3-(phenylthio)propionamide
CID 99980040
1-methyl-1-[N-(S)-2-(1-benzothiophen-2-yl)-2-hydroxypropylcarbamoyl]ethyl acetate
CID 99980235
2-[(S)-1-hydroxy-1-methyl-2-(N-cyclopentylcarbamoylcarbonylamino)ethyl]-1-benzothiophene
CID 99980588
(S)-2-(1-benzothiophen-2-yl)-1-[3-(2-methoxyethyl)ureido]-2-propanol
CID 99980743

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]oxolane-3-carboxamide?
The IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]oxolane-3-carboxamide (CID 86263991) is N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]oxolane-3-carboxamide is CC(O)(CNC(=O)C1CCOC1)c1cc2ccccc2s1.
What is the InChIKey of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]oxolane-3-carboxamide?
The InChIKey is MPTKQTSDHUZHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-16(19,10-17-15(18)12-6-7-20-9-12)14-8-11-4-2-3-5-13(11)21-14/h2-5,8,12,19H,6-7,9-10H2,1H3,(H,17,18).
What are the key properties of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]oxolane-3-carboxamide?
N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]oxolane-3-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.26, 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-2-yl)-2-hydroxypropyl]oxolane-3-carboxamide is sourced from PubChem (CID 86263991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).