4-(4-methoxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide

C23H21N3O3S — CID 142082466

IUPAC4-(4-methoxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(-c2csc(C(=O)Nc3ccc(C4=NNC(=O)CC4C)cc3)c2)cc1
InChIInChI=1S/C23H21N3O3S/c1-14-11-21(27)25-26-22(14)16-3-7-18(8-4-16)24-23(28)20-12-17(13-30-20)15-5-9-19(29-2)10-6-15/h3-10,12-14H,11H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyOQIUXPPHTBXZFH-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.54
Rot. Bonds5

About 4-(4-methoxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide

4-(4-methoxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide (PubChem CID 142082466) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide
PubChem CID142082466
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC Name4-(4-methoxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(-c2csc(C(=O)Nc3ccc(C4=NNC(=O)CC4C)cc3)c2)cc1
InChIInChI=1S/C23H21N3O3S/c1-14-11-21(27)25-26-22(14)16-3-7-18(8-4-16)24-23(28)20-12-17(13-30-20)15-5-9-19(29-2)10-6-15/h3-10,12-14H,11H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyOQIUXPPHTBXZFH-UHFFFAOYSA-N
XLogP4.54
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(4-methoxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide 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

(E)-3-(4-methoxyphenyl)-N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]prop-2-enamide
CID 95988823
N-[4-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide
CID 10562323
4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-naphthalen-2-ylbenzamide
CID 20765693
2-[4-[[4-(4-methoxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetic acid
CID 10338959
2-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
CID 142082421
N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]furan-2-carboxamide
CID 13228917
2-bromo-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
CID 22160509
methyl 2-[4,5-dimethoxy-2-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]-2-oxoethyl]phenyl]acetate
CID 139842055
2,4,5-trifluoro-3-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
CID 24740395
2,2-dichloro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide
CID 12807338
4-amino-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]butanamide
CID 19854552
2-cyano-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
CID 13193381

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide (CID 142082466) is 4-(4-methoxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide is COc1ccc(-c2csc(C(=O)Nc3ccc(C4=NNC(=O)CC4C)cc3)c2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is OQIUXPPHTBXZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-14-11-21(27)25-26-22(14)16-3-7-18(8-4-16)24-23(28)20-12-17(13-30-20)15-5-9-19(29-2)10-6-15/h3-10,12-14H,11H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 4-(4-methoxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide?
4-(4-methoxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 142082466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).