5-amino-N-(3-methylcyclobutyl)-1-benzothiophene-2-carboxamide

C14H16N2OS — CID 113467054

IUPAC5-amino-N-(3-methylcyclobutyl)-1-benzothiophene-2-carboxamide
SMILESCC1CC(NC(=O)c2cc3cc(N)ccc3s2)C1
InChIInChI=1S/C14H16N2OS/c1-8-4-11(5-8)16-14(17)13-7-9-6-10(15)2-3-12(9)18-13/h2-3,6-8,11H,4-5,15H2,1H3,(H,16,17)
InChIKeyWRNWHCKBHRWWEL-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.01
Rot. Bonds2

About 5-amino-N-(3-methylcyclobutyl)-1-benzothiophene-2-carboxamide

5-amino-N-(3-methylcyclobutyl)-1-benzothiophene-2-carboxamide (PubChem CID 113467054) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 5-amino-N-(3-methylcyclobutyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-methylcyclobutyl)-1-benzothiophene-2-carboxamide
PubChem CID113467054
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name5-amino-N-(3-methylcyclobutyl)-1-benzothiophene-2-carboxamide
SMILESCC1CC(NC(=O)c2cc3cc(N)ccc3s2)C1
InChIInChI=1S/C14H16N2OS/c1-8-4-11(5-8)16-14(17)13-7-9-6-10(15)2-3-12(9)18-13/h2-3,6-8,11H,4-5,15H2,1H3,(H,16,17)
InChIKeyWRNWHCKBHRWWEL-UHFFFAOYSA-N
XLogP3.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.01
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 5-amino-N-(3-methylcyclobutyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-amino-N-(3-methylcyclobutyl)-1-benzothiophene-2-carboxamide (CID 113467054) is 5-amino-N-(3-methylcyclobutyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-amino-N-(3-methylcyclobutyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-amino-N-(3-methylcyclobutyl)-1-benzothiophene-2-carboxamide is CC1CC(NC(=O)c2cc3cc(N)ccc3s2)C1.
What is the InChIKey of 5-amino-N-(3-methylcyclobutyl)-1-benzothiophene-2-carboxamide?
The InChIKey is WRNWHCKBHRWWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-8-4-11(5-8)16-14(17)13-7-9-6-10(15)2-3-12(9)18-13/h2-3,6-8,11H,4-5,15H2,1H3,(H,16,17).
What are the key properties of 5-amino-N-(3-methylcyclobutyl)-1-benzothiophene-2-carboxamide?
5-amino-N-(3-methylcyclobutyl)-1-benzothiophene-2-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-methylcyclobutyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 113467054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).