3-chloro-N-(cyclopentylideneamino)-1-benzothiophene-2-carboxamide

C14H13ClN2OS — CID 819268

IUPAC3-chloro-N-(cyclopentylideneamino)-1-benzothiophene-2-carboxamide
SMILESO=C(NN=C1CCCC1)c1sc2ccccc2c1Cl
InChIInChI=1S/C14H13ClN2OS/c15-12-10-7-3-4-8-11(10)19-13(12)14(18)17-16-9-5-1-2-6-9/h3-4,7-8H,1-2,5-6H2,(H,17,18)
InChIKeySSMUZTAHBRYHGI-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.21
Rot. Bonds2

About 3-chloro-N-(cyclopentylideneamino)-1-benzothiophene-2-carboxamide

3-chloro-N-(cyclopentylideneamino)-1-benzothiophene-2-carboxamide (PubChem CID 819268) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is 3-chloro-N-(cyclopentylideneamino)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(cyclopentylideneamino)-1-benzothiophene-2-carboxamide
PubChem CID819268
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name3-chloro-N-(cyclopentylideneamino)-1-benzothiophene-2-carboxamide
SMILESO=C(NN=C1CCCC1)c1sc2ccccc2c1Cl
InChIInChI=1S/C14H13ClN2OS/c15-12-10-7-3-4-8-11(10)19-13(12)14(18)17-16-9-5-1-2-6-9/h3-4,7-8H,1-2,5-6H2,(H,17,18)
InChIKeySSMUZTAHBRYHGI-UHFFFAOYSA-N
XLogP4.21
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Chloro-1-benzothiophene-2-carbohydrazide
CID 606925
3,4-Dichloro-1-benzothiophene-2-carbohydrazide
CID 874733
3-chloro-N'-(2-methylcyclohexylidene)-1-benzothiophene-2-carbohydrazide
CID 5331386
3-chloro-N'-[(E)-(4-fluorophenyl)methylidene]-1-benzothiophene-2-carbohydrazide
CID 5334682
3-Chlorobenzo(b)thiophene-2-carboxamide
CID 607052
4-chloro-N-[1-(2-thienyl)ethylideneamino]benzamide
CID 5829177
3-Chloro-6-fluoro-1-benzothiophene-2-carboxamide
CID 874691
3-Chloro-N-(4-oxo-2-thioxothiazolidin-3-yl)benzo[b]thiophene-2-carboxamide (4)
CID 126842913
3-Chloro-N-[4-oxo-5-(2-oxoindolin-3-ylidene)-2-thioxothiazolidin-3-yl]benzo[b]thiophene-2-carboxamide (5i)
CID 137224540
3-chloro-N-[(Z)-(3-oxocyclohexylidene)amino]-1-benzothiophene-2-carboxamide
CID 5972646
N-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-3-chloro-1-benzothiophene-2-carboxamide
CID 9677990
3-Chloro-N'-[(1Z)-3,3-dimethyl-5-oxocyclohexylidene]-1-benzothiophene-2-carbohydrazide
CID 9603673

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(cyclopentylideneamino)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(cyclopentylideneamino)-1-benzothiophene-2-carboxamide (CID 819268) is 3-chloro-N-(cyclopentylideneamino)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(cyclopentylideneamino)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(cyclopentylideneamino)-1-benzothiophene-2-carboxamide is O=C(NN=C1CCCC1)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-(cyclopentylideneamino)-1-benzothiophene-2-carboxamide?
The InChIKey is SSMUZTAHBRYHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c15-12-10-7-3-4-8-11(10)19-13(12)14(18)17-16-9-5-1-2-6-9/h3-4,7-8H,1-2,5-6H2,(H,17,18).
What are the key properties of 3-chloro-N-(cyclopentylideneamino)-1-benzothiophene-2-carboxamide?
3-chloro-N-(cyclopentylideneamino)-1-benzothiophene-2-carboxamide has a molecular weight of 292.79 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(cyclopentylideneamino)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 819268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).