N-[6-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide

C17H20N4O4S — CID 42139157

IUPACN-[6-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide
SMILESCCC(=O)Nc1ccc(SCC(=O)Nc2cc(OC)ccc2OC)nn1
InChIInChI=1S/C17H20N4O4S/c1-4-15(22)19-14-7-8-17(21-20-14)26-10-16(23)18-12-9-11(24-2)5-6-13(12)25-3/h5-9H,4,10H2,1-3H3,(H,18,23)(H,19,20,22)
InChIKeyZEQXUGPLZJRSBJ-UHFFFAOYSA-N
MW376.44 g/mol
LogP2.57
Rot. Bonds8

About N-[6-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide

N-[6-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide (PubChem CID 42139157) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[6-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide.

Molecular Properties

Compound NameN-[6-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide
PubChem CID42139157
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC NameN-[6-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide
SMILESCCC(=O)Nc1ccc(SCC(=O)Nc2cc(OC)ccc2OC)nn1
InChIInChI=1S/C17H20N4O4S/c1-4-15(22)19-14-7-8-17(21-20-14)26-10-16(23)18-12-9-11(24-2)5-6-13(12)25-3/h5-9H,4,10H2,1-3H3,(H,18,23)(H,19,20,22)
InChIKeyZEQXUGPLZJRSBJ-UHFFFAOYSA-N
XLogP2.57
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide?
The IUPAC name of N-[6-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide (CID 42139157) is N-[6-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide.
What is the SMILES notation for N-[6-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide?
The canonical SMILES for N-[6-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide is CCC(=O)Nc1ccc(SCC(=O)Nc2cc(OC)ccc2OC)nn1.
What is the InChIKey of N-[6-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide?
The InChIKey is ZEQXUGPLZJRSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-4-15(22)19-14-7-8-17(21-20-14)26-10-16(23)18-12-9-11(24-2)5-6-13(12)25-3/h5-9H,4,10H2,1-3H3,(H,18,23)(H,19,20,22).
What are the key properties of N-[6-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide?
N-[6-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide has a molecular weight of 376.44 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide is sourced from PubChem (CID 42139157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).