4-amino-N-(1-benzothiophen-5-yl)cyclopent-2-ene-1-carboxamide

C14H14N2OS — CID 79211097

IUPAC4-amino-N-(1-benzothiophen-5-yl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)Nc2ccc3sccc3c2)C1
InChIInChI=1S/C14H14N2OS/c15-11-2-1-10(7-11)14(17)16-12-3-4-13-9(8-12)5-6-18-13/h1-6,8,10-11H,7,15H2,(H,16,17)
InChIKeySOWSGJSVVYEKEI-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.74
Rot. Bonds2

About 4-amino-N-(1-benzothiophen-5-yl)cyclopent-2-ene-1-carboxamide

4-amino-N-(1-benzothiophen-5-yl)cyclopent-2-ene-1-carboxamide (PubChem CID 79211097) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 4-amino-N-(1-benzothiophen-5-yl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-benzothiophen-5-yl)cyclopent-2-ene-1-carboxamide
PubChem CID79211097
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name4-amino-N-(1-benzothiophen-5-yl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)Nc2ccc3sccc3c2)C1
InChIInChI=1S/C14H14N2OS/c15-11-2-1-10(7-11)14(17)16-12-3-4-13-9(8-12)5-6-18-13/h1-6,8,10-11H,7,15H2,(H,16,17)
InChIKeySOWSGJSVVYEKEI-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(3,4-dichlorophenyl)cyclopent-2-ene-1-carboxamide
CID 79210508
4-amino-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide
CID 60848684
4-amino-N-quinolin-6-ylcyclopent-2-ene-1-carboxamide
CID 79207327
4-amino-N-(1,3-benzodioxol-5-yl)cyclopent-2-ene-1-carboxamide
CID 79210516
4-amino-N-(3-chloro-4-methylphenyl)cyclopent-2-ene-1-carboxamide
CID 79211066
4-(aminomethyl)-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide
CID 79526732
N-(3-acetylphenyl)-4-aminocyclopent-2-ene-1-carboxamide
CID 79207031
4-amino-N-(3-methoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79211392
4-amino-N-(4-methyl-3-nitrophenyl)cyclopent-2-ene-1-carboxamide
CID 79211476
N-(1-benzothiophen-5-yl)-2-methylpyrrolidine-3-carboxamide
CID 79389065
4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-N,N-dimethylbenzamide
CID 79211253
4-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide
CID 79209500

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-benzothiophen-5-yl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(1-benzothiophen-5-yl)cyclopent-2-ene-1-carboxamide (CID 79211097) is 4-amino-N-(1-benzothiophen-5-yl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(1-benzothiophen-5-yl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(1-benzothiophen-5-yl)cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)Nc2ccc3sccc3c2)C1.
What is the InChIKey of 4-amino-N-(1-benzothiophen-5-yl)cyclopent-2-ene-1-carboxamide?
The InChIKey is SOWSGJSVVYEKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c15-11-2-1-10(7-11)14(17)16-12-3-4-13-9(8-12)5-6-18-13/h1-6,8,10-11H,7,15H2,(H,16,17).
What are the key properties of 4-amino-N-(1-benzothiophen-5-yl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(1-benzothiophen-5-yl)cyclopent-2-ene-1-carboxamide has a molecular weight of 258.35 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-benzothiophen-5-yl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79211097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).