N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide

C17H16ClN3O3S — CID 167798763

IUPACN-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)Cn1ncc2ccsc2c1=O
InChIInChI=1S/C17H16ClN3O3S/c1-20(7-8-24-14-4-2-13(18)3-5-14)15(22)11-21-17(23)16-12(10-19-21)6-9-25-16/h2-6,9-10H,7-8,11H2,1H3
InChIKeyNFJBAFUUJKIEMV-UHFFFAOYSA-N
MW377.85 g/mol
LogP2.65
Rot. Bonds6

About N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide

N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide (PubChem CID 167798763) has the molecular formula C17H16ClN3O3S and a molecular weight of 377.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide
PubChem CID167798763
Molecular FormulaC17H16ClN3O3S
Molecular Weight377.85 g/mol
Exact Mass377.06
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)Cn1ncc2ccsc2c1=O
InChIInChI=1S/C17H16ClN3O3S/c1-20(7-8-24-14-4-2-13(18)3-5-14)15(22)11-21-17(23)16-12(10-19-21)6-9-25-16/h2-6,9-10H,7-8,11H2,1H3
InChIKeyNFJBAFUUJKIEMV-UHFFFAOYSA-N
XLogP2.65
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 29467754
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950
N-[2-(4-chlorophenoxy)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide
CID 27795578
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide
CID 62799435
3-amino-N-[2-(4-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
CID 61114488
N-[2-(4-chlorophenoxy)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide
CID 17485630
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 8582278
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 92786204
N-[2-(4-chlorophenoxy)ethyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 35691977
3-(1,3-benzothiazol-2-yl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpropanamide
CID 112792748
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 8862514
N-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 78784190

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide (CID 167798763) is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide is CN(CCOc1ccc(Cl)cc1)C(=O)Cn1ncc2ccsc2c1=O.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide?
The InChIKey is NFJBAFUUJKIEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S/c1-20(7-8-24-14-4-2-13(18)3-5-14)15(22)11-21-17(23)16-12(10-19-21)6-9-25-16/h2-6,9-10H,7-8,11H2,1H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide?
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide has a molecular weight of 377.85 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide is sourced from PubChem (CID 167798763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).