N-(2-aminophenyl)-5-chloro-N-ethylthiophene-2-carboxamide

C13H13ClN2OS — CID 62276098

IUPACN-(2-aminophenyl)-5-chloro-N-ethylthiophene-2-carboxamide
SMILESCCN(C(=O)c1ccc(Cl)s1)c1ccccc1N
InChIInChI=1S/C13H13ClN2OS/c1-2-16(10-6-4-3-5-9(10)15)13(17)11-7-8-12(14)18-11/h3-8H,2,15H2,1H3
InChIKeyPRRHDXZFYSBPMH-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.65
Rot. Bonds3

About N-(2-aminophenyl)-5-chloro-N-ethylthiophene-2-carboxamide

N-(2-aminophenyl)-5-chloro-N-ethylthiophene-2-carboxamide (PubChem CID 62276098) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-chloro-N-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-chloro-N-ethylthiophene-2-carboxamide
PubChem CID62276098
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC NameN-(2-aminophenyl)-5-chloro-N-ethylthiophene-2-carboxamide
SMILESCCN(C(=O)c1ccc(Cl)s1)c1ccccc1N
InChIInChI=1S/C13H13ClN2OS/c1-2-16(10-6-4-3-5-9(10)15)13(17)11-7-8-12(14)18-11/h3-8H,2,15H2,1H3
InChIKeyPRRHDXZFYSBPMH-UHFFFAOYSA-N
XLogP3.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-(2-aminophenyl)-N-ethyl-2-thiophen-2-ylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-chloro-N-ethylthiophene-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-5-chloro-N-ethylthiophene-2-carboxamide (CID 62276098) is N-(2-aminophenyl)-5-chloro-N-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-5-chloro-N-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-5-chloro-N-ethylthiophene-2-carboxamide is CCN(C(=O)c1ccc(Cl)s1)c1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-5-chloro-N-ethylthiophene-2-carboxamide?
The InChIKey is PRRHDXZFYSBPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c1-2-16(10-6-4-3-5-9(10)15)13(17)11-7-8-12(14)18-11/h3-8H,2,15H2,1H3.
What are the key properties of N-(2-aminophenyl)-5-chloro-N-ethylthiophene-2-carboxamide?
N-(2-aminophenyl)-5-chloro-N-ethylthiophene-2-carboxamide has a molecular weight of 280.78 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-chloro-N-ethylthiophene-2-carboxamide is sourced from PubChem (CID 62276098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).