N-[6-(2-chloroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide

C17H14ClN3OS — CID 113018428

IUPACN-[6-(2-chloroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(Nc2ccccc2Cl)nc1
InChIInChI=1S/C17H14ClN3OS/c18-14-5-1-2-6-15(14)21-16-8-7-12(11-19-16)20-17(22)10-13-4-3-9-23-13/h1-9,11H,10H2,(H,19,21)(H,20,22)
InChIKeyCQCQEKBQQXBOAQ-UHFFFAOYSA-N
MW343.84 g/mol
LogP4.72
Rot. Bonds5

About N-[6-(2-chloroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide

N-[6-(2-chloroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide (PubChem CID 113018428) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is N-[6-(2-chloroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[6-(2-chloroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
PubChem CID113018428
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC NameN-[6-(2-chloroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(Nc2ccccc2Cl)nc1
InChIInChI=1S/C17H14ClN3OS/c18-14-5-1-2-6-15(14)21-16-8-7-12(11-19-16)20-17(22)10-13-4-3-9-23-13/h1-9,11H,10H2,(H,19,21)(H,20,22)
InChIKeyCQCQEKBQQXBOAQ-UHFFFAOYSA-N
XLogP4.72
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018213
N-[4-(2-chloroanilino)phenyl]-2-thiophen-2-ylacetamide
CID 112986929
N-[6-(2-propan-2-ylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113017744
N-[6-(4-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018323
N-[6-(methylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 115268484
N-[5-(3,5-dichloroanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113036797
N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113018452
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113033626
methyl 2-[[6-[(2-thiophen-2-ylacetyl)amino]-3-pyridinyl]amino]benzoate
CID 113035267
N-[6-(2,3-dichloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113050922
N-[6-(3-acetylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113020325
N-[6-(cyclohexylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113010070

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-chloroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[6-(2-chloroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide (CID 113018428) is N-[6-(2-chloroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[6-(2-chloroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[6-(2-chloroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccc(Nc2ccccc2Cl)nc1.
What is the InChIKey of N-[6-(2-chloroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide?
The InChIKey is CQCQEKBQQXBOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c18-14-5-1-2-6-15(14)21-16-8-7-12(11-19-16)20-17(22)10-13-4-3-9-23-13/h1-9,11H,10H2,(H,19,21)(H,20,22).
What are the key properties of N-[6-(2-chloroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide?
N-[6-(2-chloroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide has a molecular weight of 343.84 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-chloroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113018428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).