N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]cyclobutanecarboxamide

C16H19NO2S — CID 99979801

IUPACN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]cyclobutanecarboxamide
SMILESC[C@](O)(CNC(=O)C1CCC1)c1cc2ccccc2s1
InChIInChI=1S/C16H19NO2S/c1-16(19,10-17-15(18)11-6-4-7-11)14-9-12-5-2-3-8-13(12)20-14/h2-3,5,8-9,11,19H,4,6-7,10H2,1H3,(H,17,18)/t16-/m0/s1
InChIKeyZBLVZDUOCPFOAD-INIZCTEOSA-N
MW289.40 g/mol
LogP3.03
Rot. Bonds4

About N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]cyclobutanecarboxamide

N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]cyclobutanecarboxamide (PubChem CID 99979801) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]cyclobutanecarboxamide
PubChem CID99979801
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]cyclobutanecarboxamide
SMILESC[C@](O)(CNC(=O)C1CCC1)c1cc2ccccc2s1
InChIInChI=1S/C16H19NO2S/c1-16(19,10-17-15(18)11-6-4-7-11)14-9-12-5-2-3-8-13(12)20-14/h2-3,5,8-9,11,19H,4,6-7,10H2,1H3,(H,17,18)/t16-/m0/s1
InChIKeyZBLVZDUOCPFOAD-INIZCTEOSA-N
XLogP3.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 71971006
2-(thiophen-3-yl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 76147682
N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 86263983
N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-3-(2-fluorophenyl)propanamide
CID 86263988
2-[(S)-2-{[(p-fluorophenyl)methyl]carbamoylcarbonylamino}-1-hydroxy-1-methylethyl]-1-benzothiophene
CID 99980632
N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 86263944
N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-2-(ethylthio)benzamide
CID 86263963
N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 86263970
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
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxolane-3-carboxamide
CID 91630865

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]cyclobutanecarboxamide?
The IUPAC name of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]cyclobutanecarboxamide (CID 99979801) is N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]cyclobutanecarboxamide is C[C@](O)(CNC(=O)C1CCC1)c1cc2ccccc2s1.
What is the InChIKey of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]cyclobutanecarboxamide?
The InChIKey is ZBLVZDUOCPFOAD-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-16(19,10-17-15(18)11-6-4-7-11)14-9-12-5-2-3-8-13(12)20-14/h2-3,5,8-9,11,19H,4,6-7,10H2,1H3,(H,17,18)/t16-/m0/s1.
What are the key properties of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]cyclobutanecarboxamide?
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]cyclobutanecarboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]cyclobutanecarboxamide is sourced from PubChem (CID 99979801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).