N-[5-(3,5-dichloroanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide

C17H13Cl2N3OS — CID 113036797

IUPACN-[5-(3,5-dichloroanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(Nc2cc(Cl)cc(Cl)c2)cn1
InChIInChI=1S/C17H13Cl2N3OS/c18-11-6-12(19)8-14(7-11)21-13-3-4-16(20-10-13)22-17(23)9-15-2-1-5-24-15/h1-8,10,21H,9H2,(H,20,22,23)
InChIKeyBTIDTVFNRFNGPX-UHFFFAOYSA-N
MW378.28 g/mol
LogP5.37
Rot. Bonds5

About N-[5-(3,5-dichloroanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide

N-[5-(3,5-dichloroanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide (PubChem CID 113036797) has the molecular formula C17H13Cl2N3OS and a molecular weight of 378.28 g/mol. Its IUPAC name is N-[5-(3,5-dichloroanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[5-(3,5-dichloroanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
PubChem CID113036797
Molecular FormulaC17H13Cl2N3OS
Molecular Weight378.28 g/mol
Exact Mass377.02
IUPAC NameN-[5-(3,5-dichloroanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(Nc2cc(Cl)cc(Cl)c2)cn1
InChIInChI=1S/C17H13Cl2N3OS/c18-11-6-12(19)8-14(7-11)21-13-3-4-16(20-10-13)22-17(23)9-15-2-1-5-24-15/h1-8,10,21H,9H2,(H,20,22,23)
InChIKeyBTIDTVFNRFNGPX-UHFFFAOYSA-N
XLogP5.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.28
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113033626
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113036157
2-thiophen-2-yl-N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]acetamide
CID 113032823
N-[6-(4-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018323
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113047543
N-[6-(2-chloroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018428
N-[6-(methylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 115268484
methyl 2-[[6-[(2-thiophen-2-ylacetyl)amino]-3-pyridinyl]amino]benzoate
CID 113035267
N-[6-(3-acetylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113020325
N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113034634
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113026265
N-[6-(2-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018213

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dichloroanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[5-(3,5-dichloroanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide (CID 113036797) is N-[5-(3,5-dichloroanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[5-(3,5-dichloroanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[5-(3,5-dichloroanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccc(Nc2cc(Cl)cc(Cl)c2)cn1.
What is the InChIKey of N-[5-(3,5-dichloroanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide?
The InChIKey is BTIDTVFNRFNGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3OS/c18-11-6-12(19)8-14(7-11)21-13-3-4-16(20-10-13)22-17(23)9-15-2-1-5-24-15/h1-8,10,21H,9H2,(H,20,22,23).
What are the key properties of N-[5-(3,5-dichloroanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide?
N-[5-(3,5-dichloroanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide has a molecular weight of 378.28 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dichloroanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113036797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).