N-(5-amino-2-chlorophenyl)thiophene-2-carboxamide

C11H9ClN2OS — CID 655790

IUPACN-(5-amino-2-chlorophenyl)thiophene-2-carboxamide
SMILESNc1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C11H9ClN2OS/c12-8-4-3-7(13)6-9(8)14-11(15)10-2-1-5-16-10/h1-6H,13H2,(H,14,15)
InChIKeyXPIPBMWMAQCEHH-UHFFFAOYSA-N
MW252.73 g/mol
LogP3.24
Rot. Bonds2

About N-(5-amino-2-chlorophenyl)thiophene-2-carboxamide

N-(5-amino-2-chlorophenyl)thiophene-2-carboxamide (PubChem CID 655790) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)thiophene-2-carboxamide
PubChem CID655790
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC NameN-(5-amino-2-chlorophenyl)thiophene-2-carboxamide
SMILESNc1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C11H9ClN2OS/c12-8-4-3-7(13)6-9(8)14-11(15)10-2-1-5-16-10/h1-6H,13H2,(H,14,15)
InChIKeyXPIPBMWMAQCEHH-UHFFFAOYSA-N
XLogP3.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 53.24
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-(5-amino-2-chlorophenyl)thiophene-2-carboxamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)thiophene-2-carboxamide (CID 655790) is N-(5-amino-2-chlorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)thiophene-2-carboxamide is Nc1ccc(Cl)c(NC(=O)c2cccs2)c1.
What is the InChIKey of N-(5-amino-2-chlorophenyl)thiophene-2-carboxamide?
The InChIKey is XPIPBMWMAQCEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c12-8-4-3-7(13)6-9(8)14-11(15)10-2-1-5-16-10/h1-6H,13H2,(H,14,15).
What are the key properties of N-(5-amino-2-chlorophenyl)thiophene-2-carboxamide?
N-(5-amino-2-chlorophenyl)thiophene-2-carboxamide has a molecular weight of 252.73 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-chlorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 655790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).