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

C19H17N3O2S — CID 113020325

IUPACN-[6-(3-acetylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
SMILESCC(=O)c1cccc(Nc2ccc(NC(=O)Cc3cccs3)cn2)c1
InChIInChI=1S/C19H17N3O2S/c1-13(23)14-4-2-5-15(10-14)21-18-8-7-16(12-20-18)22-19(24)11-17-6-3-9-25-17/h2-10,12H,11H2,1H3,(H,20,21)(H,22,24)
InChIKeyAKAGCPJNGIMNRF-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.27
Rot. Bonds6

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

N-[6-(3-acetylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide (PubChem CID 113020325) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[6-(3-acetylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[6-(3-acetylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
PubChem CID113020325
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-[6-(3-acetylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
SMILESCC(=O)c1cccc(Nc2ccc(NC(=O)Cc3cccs3)cn2)c1
InChIInChI=1S/C19H17N3O2S/c1-13(23)14-4-2-5-15(10-14)21-18-8-7-16(12-20-18)22-19(24)11-17-6-3-9-25-17/h2-10,12H,11H2,1H3,(H,20,21)(H,22,24)
InChIKeyAKAGCPJNGIMNRF-UHFFFAOYSA-N
XLogP4.27
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018323
N-[6-(methylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 115268484
N-[6-(2-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018213
N-[6-(2-chloroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018428
N-[6-(2-propan-2-ylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113017744
N-[5-(3,5-dichloroanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113036797
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113033626
N-(3-benzoylphenyl)-2-thiophen-2-ylacetamide
CID 762458
N-[6-(pentylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113015222
2-thiophen-2-yl-N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]acetamide
CID 113032823
N-[6-(3-acetylanilino)-3-pyridinyl]-2-chlorobenzamide
CID 113020334
N-[6-(3-acetylanilino)-3-pyridinyl]-3-fluorobenzamide
CID 113020314

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-acetylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[6-(3-acetylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide (CID 113020325) is N-[6-(3-acetylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[6-(3-acetylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[6-(3-acetylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide is CC(=O)c1cccc(Nc2ccc(NC(=O)Cc3cccs3)cn2)c1.
What is the InChIKey of N-[6-(3-acetylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide?
The InChIKey is AKAGCPJNGIMNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-13(23)14-4-2-5-15(10-14)21-18-8-7-16(12-20-18)22-19(24)11-17-6-3-9-25-17/h2-10,12H,11H2,1H3,(H,20,21)(H,22,24).
What are the key properties of N-[6-(3-acetylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide?
N-[6-(3-acetylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide has a molecular weight of 351.43 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-acetylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113020325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).