N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-thiophen-2-ylacetamide

C18H15N3O3S — CID 113036157

IUPACN-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(Nc2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C18H15N3O3S/c22-18(9-14-2-1-7-25-14)21-17-6-4-13(10-19-17)20-12-3-5-15-16(8-12)24-11-23-15/h1-8,10,20H,9,11H2,(H,19,21,22)
InChIKeyMGZVPUNSJAUTHH-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.80
Rot. Bonds5

About N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-thiophen-2-ylacetamide

N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-thiophen-2-ylacetamide (PubChem CID 113036157) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-thiophen-2-ylacetamide
PubChem CID113036157
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC NameN-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(Nc2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C18H15N3O3S/c22-18(9-14-2-1-7-25-14)21-17-6-4-13(10-19-17)20-12-3-5-15-16(8-12)24-11-23-15/h1-8,10,20H,9,11H2,(H,19,21,22)
InChIKeyMGZVPUNSJAUTHH-UHFFFAOYSA-N
XLogP3.80
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113050307
N-[5-(3,5-dichloroanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113036797
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]butanamide
CID 113036130
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113033626
2-thiophen-2-yl-N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]acetamide
CID 113032823
N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113036236
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-fluorobenzamide
CID 113036145
N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113034634
N-[6-(methylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 115268484
N-[6-(4-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018323
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methylbenzamide
CID 113036144
1-(1,3-benzodioxol-5-yl)-3-(thiophen-2-ylmethyl)urea
CID 970506

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-thiophen-2-ylacetamide (CID 113036157) is N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccc(Nc2ccc3c(c2)OCO3)cn1.
What is the InChIKey of N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-thiophen-2-ylacetamide?
The InChIKey is MGZVPUNSJAUTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c22-18(9-14-2-1-7-25-14)21-17-6-4-13(10-19-17)20-12-3-5-15-16(8-12)24-11-23-15/h1-8,10,20H,9,11H2,(H,19,21,22).
What are the key properties of N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-thiophen-2-ylacetamide?
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-thiophen-2-ylacetamide has a molecular weight of 353.40 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113036157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).