N-(2-amino-5-thiophen-2-ylphenyl)cyclobutanecarboxamide

C15H16N2OS — CID 71466441

IUPACN-(2-amino-5-thiophen-2-ylphenyl)cyclobutanecarboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)C1CCC1
InChIInChI=1S/C15H16N2OS/c16-12-7-6-11(14-5-2-8-19-14)9-13(12)17-15(18)10-3-1-4-10/h2,5-10H,1,3-4,16H2,(H,17,18)
InChIKeyREODOHNAKYZRRD-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.74
Rot. Bonds3

About N-(2-amino-5-thiophen-2-ylphenyl)cyclobutanecarboxamide

N-(2-amino-5-thiophen-2-ylphenyl)cyclobutanecarboxamide (PubChem CID 71466441) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)cyclobutanecarboxamide
PubChem CID71466441
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)cyclobutanecarboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)C1CCC1
InChIInChI=1S/C15H16N2OS/c16-12-7-6-11(14-5-2-8-19-14)9-13(12)17-15(18)10-3-1-4-10/h2,5-10H,1,3-4,16H2,(H,17,18)
InChIKeyREODOHNAKYZRRD-UHFFFAOYSA-N
XLogP3.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)cyclobutanecarboxamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)cyclobutanecarboxamide (CID 71466441) is N-(2-amino-5-thiophen-2-ylphenyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)cyclobutanecarboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)cyclobutanecarboxamide is Nc1ccc(-c2cccs2)cc1NC(=O)C1CCC1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)cyclobutanecarboxamide?
The InChIKey is REODOHNAKYZRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c16-12-7-6-11(14-5-2-8-19-14)9-13(12)17-15(18)10-3-1-4-10/h2,5-10H,1,3-4,16H2,(H,17,18).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)cyclobutanecarboxamide?
N-(2-amino-5-thiophen-2-ylphenyl)cyclobutanecarboxamide has a molecular weight of 272.37 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)cyclobutanecarboxamide is sourced from PubChem (CID 71466441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).