N-(1-benzothiophen-2-yl)cyclooctanecarboxamide

C17H21NOS — CID 150772406

IUPACN-(1-benzothiophen-2-yl)cyclooctanecarboxamide
SMILESO=C(Nc1cc2ccccc2s1)C1CCCCCCC1
InChIInChI=1S/C17H21NOS/c19-17(13-8-4-2-1-3-5-9-13)18-16-12-14-10-6-7-11-15(14)20-16/h6-7,10-13H,1-5,8-9H2,(H,18,19)
InChIKeyKADGIXFUSVDSQN-UHFFFAOYSA-N
MW287.43 g/mol
LogP5.20
Rot. Bonds2

About N-(1-benzothiophen-2-yl)cyclooctanecarboxamide

N-(1-benzothiophen-2-yl)cyclooctanecarboxamide (PubChem CID 150772406) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is N-(1-benzothiophen-2-yl)cyclooctanecarboxamide.

Molecular Properties

Compound NameN-(1-benzothiophen-2-yl)cyclooctanecarboxamide
PubChem CID150772406
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC NameN-(1-benzothiophen-2-yl)cyclooctanecarboxamide
SMILESO=C(Nc1cc2ccccc2s1)C1CCCCCCC1
InChIInChI=1S/C17H21NOS/c19-17(13-8-4-2-1-3-5-9-13)18-16-12-14-10-6-7-11-15(14)20-16/h6-7,10-13H,1-5,8-9H2,(H,18,19)
InChIKeyKADGIXFUSVDSQN-UHFFFAOYSA-N
XLogP5.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.43
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 151004349
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1-benzothiophen-2-ylthiourea
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N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 4188758
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
N-[6-(cyclohexanecarbonylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 5223932
2-(carbamoylamino)-5-(cyclohexanecarbonylamino)thiophene-3-carboxamide
CID 143129001
2-amino-N-(1-benzothiophen-2-yl)benzamide
CID 147635883
N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 2427902
N-quinolin-2-ylcyclopentanecarboxamide
CID 39959364
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
1-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)urea
CID 2811404

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-2-yl)cyclooctanecarboxamide?
The IUPAC name of N-(1-benzothiophen-2-yl)cyclooctanecarboxamide (CID 150772406) is N-(1-benzothiophen-2-yl)cyclooctanecarboxamide.
What is the SMILES notation for N-(1-benzothiophen-2-yl)cyclooctanecarboxamide?
The canonical SMILES for N-(1-benzothiophen-2-yl)cyclooctanecarboxamide is O=C(Nc1cc2ccccc2s1)C1CCCCCCC1.
What is the InChIKey of N-(1-benzothiophen-2-yl)cyclooctanecarboxamide?
The InChIKey is KADGIXFUSVDSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c19-17(13-8-4-2-1-3-5-9-13)18-16-12-14-10-6-7-11-15(14)20-16/h6-7,10-13H,1-5,8-9H2,(H,18,19).
What are the key properties of N-(1-benzothiophen-2-yl)cyclooctanecarboxamide?
N-(1-benzothiophen-2-yl)cyclooctanecarboxamide has a molecular weight of 287.43 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-2-yl)cyclooctanecarboxamide is sourced from PubChem (CID 150772406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).