N-(3-aminophenyl)thiophene-2-carboxamide

C11H10N2OS — CID 675398

IUPACN-(3-aminophenyl)thiophene-2-carboxamide
SMILESNc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C11H10N2OS/c12-8-3-1-4-9(7-8)13-11(14)10-5-2-6-15-10/h1-7H,12H2,(H,13,14)
InChIKeyXXGXTGNFZPKBNN-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.58
Rot. Bonds2

About N-(3-aminophenyl)thiophene-2-carboxamide

N-(3-aminophenyl)thiophene-2-carboxamide (PubChem CID 675398) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is N-(3-aminophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)thiophene-2-carboxamide
PubChem CID675398
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC NameN-(3-aminophenyl)thiophene-2-carboxamide
SMILESNc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C11H10N2OS/c12-8-3-1-4-9(7-8)13-11(14)10-5-2-6-15-10/h1-7H,12H2,(H,13,14)
InChIKeyXXGXTGNFZPKBNN-UHFFFAOYSA-N
XLogP2.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.58
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-(3-aminophenyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-aminophenyl)thiophene-2-carboxamide (CID 675398) is N-(3-aminophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-aminophenyl)thiophene-2-carboxamide is Nc1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-(3-aminophenyl)thiophene-2-carboxamide?
The InChIKey is XXGXTGNFZPKBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c12-8-3-1-4-9(7-8)13-11(14)10-5-2-6-15-10/h1-7H,12H2,(H,13,14).
What are the key properties of N-(3-aminophenyl)thiophene-2-carboxamide?
N-(3-aminophenyl)thiophene-2-carboxamide has a molecular weight of 218.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 675398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).