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

C19H19N3O3S — CID 113034634

IUPACN-[5-(2,5-dimethoxyanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(OC)c(Nc2ccc(NC(=O)Cc3cccs3)nc2)c1
InChIInChI=1S/C19H19N3O3S/c1-24-14-6-7-17(25-2)16(10-14)21-13-5-8-18(20-12-13)22-19(23)11-15-4-3-9-26-15/h3-10,12,21H,11H2,1-2H3,(H,20,22,23)
InChIKeyDTKIDSCDMAAOTG-UHFFFAOYSA-N
MW369.45 g/mol
LogP4.09
Rot. Bonds7

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

N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide (PubChem CID 113034634) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[5-(2,5-dimethoxyanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
PubChem CID113034634
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-[5-(2,5-dimethoxyanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(OC)c(Nc2ccc(NC(=O)Cc3cccs3)nc2)c1
InChIInChI=1S/C19H19N3O3S/c1-24-14-6-7-17(25-2)16(10-14)21-13-5-8-18(20-12-13)22-19(23)11-15-4-3-9-26-15/h3-10,12,21H,11H2,1-2H3,(H,20,22,23)
InChIKeyDTKIDSCDMAAOTG-UHFFFAOYSA-N
XLogP4.09
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[6-[(2-thiophen-2-ylacetyl)amino]-3-pyridinyl]amino]benzoate
CID 113035267
N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]acetamide
CID 113034610
ethyl N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]carbamate
CID 113034657
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113019975
2-thiophen-2-yl-N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]acetamide
CID 113032823
N-[5-(3,5-dichloroanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113036797
N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]-4-methylbenzamide
CID 113034626
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113036157
N-(4-methoxy-2-pyridinyl)-2-thiophen-2-ylacetamide
CID 75435246
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113033626
2-(4-chlorophenyl)-N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]acetamide
CID 113034700
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113020007

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide (CID 113034634) is N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide is COc1ccc(OC)c(Nc2ccc(NC(=O)Cc3cccs3)nc2)c1.
What is the InChIKey of N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide?
The InChIKey is DTKIDSCDMAAOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-24-14-6-7-17(25-2)16(10-14)21-13-5-8-18(20-12-13)22-19(23)11-15-4-3-9-26-15/h3-10,12,21H,11H2,1-2H3,(H,20,22,23).
What are the key properties of N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide?
N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide has a molecular weight of 369.45 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113034634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).