N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

C21H23NO2S2 — CID 86263970

IUPACN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCC(O)(CNC(=O)C1(c2cccs2)CCCC1)c1cc2ccccc2s1
InChIInChI=1S/C21H23NO2S2/c1-20(24,18-13-15-7-2-3-8-16(15)26-18)14-22-19(23)21(10-4-5-11-21)17-9-6-12-25-17/h2-3,6-9,12-13,24H,4-5,10-11,14H2,1H3,(H,22,23)
InChIKeyPXAOQXFGEVGTHA-UHFFFAOYSA-N
MW385.55 g/mol
LogP4.80
Rot. Bonds5

About N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 86263970) has the molecular formula C21H23NO2S2 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID86263970
Molecular FormulaC21H23NO2S2
Molecular Weight385.55 g/mol
Exact Mass385.12
IUPAC NameN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCC(O)(CNC(=O)C1(c2cccs2)CCCC1)c1cc2ccccc2s1
InChIInChI=1S/C21H23NO2S2/c1-20(24,18-13-15-7-2-3-8-16(15)26-18)14-22-19(23)21(10-4-5-11-21)17-9-6-12-25-17/h2-3,6-9,12-13,24H,4-5,10-11,14H2,1H3,(H,22,23)
InChIKeyPXAOQXFGEVGTHA-UHFFFAOYSA-N
XLogP4.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 54.80
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-3-yl)-2-hydroxyethyl)-1-(4-fluorophenyl)cyclopropanecarboxamide
CID 91630852
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-(thiophen-2-yl)cyclopentane-1-carboxamide
CID 71781690
N-(2-hydroxy-2-(4-(methylthio)phenyl)ethyl)-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 71803824
N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-2-(ethylthio)benzamide
CID 86263963
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-[(R)-2-cyclopropyl-2-hydroxy-2-(2-thienyl)ethyl]1-(2-thienyl)cyclopentanecarboxamide
CID 95982751
N-[(R)-2-(4-biphenylyl)-2-hydroxypropyl](2-thienyl)acetamide
CID 95982810
N-{[(S)-1-hydroxy-1-indanyl]methyl}1-(2-thienyl)cyclopentanecarboxamide
CID 95983130
N-({5-[(R)-hydroxyphenylmethyl]-2-thienyl}methyl)1-(2-thienyl)cyclopentanecarboxamide
CID 99882791

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 86263970) is N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is CC(O)(CNC(=O)C1(c2cccs2)CCCC1)c1cc2ccccc2s1.
What is the InChIKey of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is PXAOQXFGEVGTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2S2/c1-20(24,18-13-15-7-2-3-8-16(15)26-18)14-22-19(23)21(10-4-5-11-21)17-9-6-12-25-17/h2-3,6-9,12-13,24H,4-5,10-11,14H2,1H3,(H,22,23).
What are the key properties of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 385.55 g/mol, XLogP of 4.80, 5 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]-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 86263970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).