N-[2-(3,4-dimethyl-3H-pyridazin-2-yl)thiophen-3-yl]-2-(4-methoxyphenyl)acetamide

C19H21N3O2S — CID 90729505

IUPACN-[2-(3,4-dimethyl-3H-pyridazin-2-yl)thiophen-3-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccsc2N2N=CC=C(C)C2C)cc1
InChIInChI=1S/C19H21N3O2S/c1-13-8-10-20-22(14(13)2)19-17(9-11-25-19)21-18(23)12-15-4-6-16(24-3)7-5-15/h4-11,14H,12H2,1-3H3,(H,21,23)
InChIKeyRKWVFODVXYOIJM-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.08
Rot. Bonds5

About N-[2-(3,4-dimethyl-3H-pyridazin-2-yl)thiophen-3-yl]-2-(4-methoxyphenyl)acetamide

N-[2-(3,4-dimethyl-3H-pyridazin-2-yl)thiophen-3-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 90729505) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[2-(3,4-dimethyl-3H-pyridazin-2-yl)thiophen-3-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethyl-3H-pyridazin-2-yl)thiophen-3-yl]-2-(4-methoxyphenyl)acetamide
PubChem CID90729505
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-[2-(3,4-dimethyl-3H-pyridazin-2-yl)thiophen-3-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccsc2N2N=CC=C(C)C2C)cc1
InChIInChI=1S/C19H21N3O2S/c1-13-8-10-20-22(14(13)2)19-17(9-11-25-19)21-18(23)12-15-4-6-16(24-3)7-5-15/h4-11,14H,12H2,1-3H3,(H,21,23)
InChIKeyRKWVFODVXYOIJM-UHFFFAOYSA-N
XLogP4.08
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethyl-3H-pyridazin-2-yl)thiophen-3-yl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-(3,4-dimethyl-3H-pyridazin-2-yl)thiophen-3-yl]-2-(4-methoxyphenyl)acetamide (CID 90729505) is N-[2-(3,4-dimethyl-3H-pyridazin-2-yl)thiophen-3-yl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(3,4-dimethyl-3H-pyridazin-2-yl)thiophen-3-yl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-(3,4-dimethyl-3H-pyridazin-2-yl)thiophen-3-yl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccsc2N2N=CC=C(C)C2C)cc1.
What is the InChIKey of N-[2-(3,4-dimethyl-3H-pyridazin-2-yl)thiophen-3-yl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is RKWVFODVXYOIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-13-8-10-20-22(14(13)2)19-17(9-11-25-19)21-18(23)12-15-4-6-16(24-3)7-5-15/h4-11,14H,12H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(3,4-dimethyl-3H-pyridazin-2-yl)thiophen-3-yl]-2-(4-methoxyphenyl)acetamide?
N-[2-(3,4-dimethyl-3H-pyridazin-2-yl)thiophen-3-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 355.46 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethyl-3H-pyridazin-2-yl)thiophen-3-yl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 90729505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).