3-chloro-N-cyclopentyloxy-1-benzothiophene-2-carboxamide

C14H14ClNO2S — CID 83201945

IUPAC3-chloro-N-cyclopentyloxy-1-benzothiophene-2-carboxamide
SMILESO=C(NOC1CCCC1)c1sc2ccccc2c1Cl
InChIInChI=1S/C14H14ClNO2S/c15-12-10-7-3-4-8-11(10)19-13(12)14(17)16-18-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,16,17)
InChIKeyLLINYQNBXUCYNW-UHFFFAOYSA-N
MW295.79 g/mol
LogP4.16
Rot. Bonds3

About 3-chloro-N-cyclopentyloxy-1-benzothiophene-2-carboxamide

3-chloro-N-cyclopentyloxy-1-benzothiophene-2-carboxamide (PubChem CID 83201945) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is 3-chloro-N-cyclopentyloxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-cyclopentyloxy-1-benzothiophene-2-carboxamide
PubChem CID83201945
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC Name3-chloro-N-cyclopentyloxy-1-benzothiophene-2-carboxamide
SMILESO=C(NOC1CCCC1)c1sc2ccccc2c1Cl
InChIInChI=1S/C14H14ClNO2S/c15-12-10-7-3-4-8-11(10)19-13(12)14(17)16-18-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,16,17)
InChIKeyLLINYQNBXUCYNW-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-ethoxy-1-benzothiophene-2-carboxamide
CID 18169005
3-chloro-1-benzothiophene-2-carbohydrazide
CID 606925
3-chloro-N'-(cyclohexanecarbonyl)-1-benzothiophene-2-carbohydrazide
CID 923362
1-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-cyclohexylurea
CID 2837015
3-chloro-N-cyclopentyloxythiophene-2-carboxamide
CID 83235964
3-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-benzothiophene-2-carboxamide
CID 107844908
1-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioyl]piperidine-3-carboxamide
CID 23904003
3-chloro-N-[(3S)-2-oxothiolan-3-yl]-1-benzothiophene-2-carboxamide
CID 889632
3-chloro-N-[[4-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 5225240
3-chloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 1080679
[4-(3-chloro-1-benzothiophene-2-carbonyl)-1,4-diazepan-1-yl]-(3-chloro-1-benzothiophen-2-yl)methanone
CID 1000910
3-chloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide
CID 126786471

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopentyloxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-cyclopentyloxy-1-benzothiophene-2-carboxamide (CID 83201945) is 3-chloro-N-cyclopentyloxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-cyclopentyloxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-cyclopentyloxy-1-benzothiophene-2-carboxamide is O=C(NOC1CCCC1)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-cyclopentyloxy-1-benzothiophene-2-carboxamide?
The InChIKey is LLINYQNBXUCYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c15-12-10-7-3-4-8-11(10)19-13(12)14(17)16-18-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,16,17).
What are the key properties of 3-chloro-N-cyclopentyloxy-1-benzothiophene-2-carboxamide?
3-chloro-N-cyclopentyloxy-1-benzothiophene-2-carboxamide has a molecular weight of 295.79 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopentyloxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 83201945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).