N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide

C18H16ClN3OS — CID 113033626

IUPACN-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc(Nc2ccc(NC(=O)Cc3cccs3)nc2)cc1Cl
InChIInChI=1S/C18H16ClN3OS/c1-12-4-5-13(9-16(12)19)21-14-6-7-17(20-11-14)22-18(23)10-15-3-2-8-24-15/h2-9,11,21H,10H2,1H3,(H,20,22,23)
InChIKeyZAFHYLFDGAGAQJ-UHFFFAOYSA-N
MW357.87 g/mol
LogP5.03
Rot. Bonds5

About N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide

N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide (PubChem CID 113033626) has the molecular formula C18H16ClN3OS and a molecular weight of 357.87 g/mol. Its IUPAC name is N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
PubChem CID113033626
Molecular FormulaC18H16ClN3OS
Molecular Weight357.87 g/mol
Exact Mass357.07
IUPAC NameN-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc(Nc2ccc(NC(=O)Cc3cccs3)nc2)cc1Cl
InChIInChI=1S/C18H16ClN3OS/c1-12-4-5-13(9-16(12)19)21-14-6-7-17(20-11-14)22-18(23)10-15-3-2-8-24-15/h2-9,11,21H,10H2,1H3,(H,20,22,23)
InChIKeyZAFHYLFDGAGAQJ-UHFFFAOYSA-N
XLogP5.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.87
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3,5-dichloroanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113036797
2-thiophen-2-yl-N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]acetamide
CID 113032823
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113036157
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]butanamide
CID 113033607
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-3-methylbutanamide
CID 113033611
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-[6-(4-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018323
N-[6-(pentylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113015222

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide (CID 113033626) is N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide is Cc1ccc(Nc2ccc(NC(=O)Cc3cccs3)nc2)cc1Cl.
What is the InChIKey of N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide?
The InChIKey is ZAFHYLFDGAGAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3OS/c1-12-4-5-13(9-16(12)19)21-14-6-7-17(20-11-14)22-18(23)10-15-3-2-8-24-15/h2-9,11,21H,10H2,1H3,(H,20,22,23).
What are the key properties of N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide?
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide has a molecular weight of 357.87 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113033626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).