N-[2-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide

C26H27N3O4S — CID 54073612

IUPACN-[2-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide
SMILESCCC1CC(=O)N(Cc2ccccc2NC(=O)c2cccs2)N=C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C26H27N3O4S/c1-4-17-15-24(30)29(28-25(17)18-11-12-21(32-2)22(14-18)33-3)16-19-8-5-6-9-20(19)27-26(31)23-10-7-13-34-23/h5-14,17H,4,15-16H2,1-3H3,(H,27,31)
InChIKeyMIEGLCFHJCHDEO-UHFFFAOYSA-N
MW477.59 g/mol
LogP5.18
Rot. Bonds8

About N-[2-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide

N-[2-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide (PubChem CID 54073612) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is N-[2-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide
PubChem CID54073612
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC NameN-[2-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide
SMILESCCC1CC(=O)N(Cc2ccccc2NC(=O)c2cccs2)N=C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C26H27N3O4S/c1-4-17-15-24(30)29(28-25(17)18-11-12-21(32-2)22(14-18)33-3)16-19-8-5-6-9-20(19)27-26(31)23-10-7-13-34-23/h5-14,17H,4,15-16H2,1-3H3,(H,27,31)
InChIKeyMIEGLCFHJCHDEO-UHFFFAOYSA-N
XLogP5.18
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.59
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[5-(3,4-dimethoxyphenyl)-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]thiophene-2-carboxamide
CID 54293615
N-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide
CID 18623569
N-[3-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-thiadiazin-3-yl]methyl]phenyl]thiophene-2-carboxamide
CID 54350462
N-[4-[[4-ethyl-3-(4-methylsulfonylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide
CID 54572314
6-(3,4-dimethoxyphenyl)-2-[(2,3-dinitrophenyl)methyl]-5-ethyl-4,5-dihydropyridazin-3-one
CID 18623476
N-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 10205542
N-[4-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,2,3,3,3-pentafluoropropanamide
CID 18623510
N-[2-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide
CID 54469571
N-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide
CID 18623609
methyl N-[4-[[4-ethyl-3-[4-methoxy-3-(trifluoromethoxy)phenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]carbamate
CID 18623316
N-[4-[[3-(4-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 10299850
N-[4-[[4-ethyl-3-[4-(fluoromethoxy)-3-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]butanamide
CID 18623546

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide (CID 54073612) is N-[2-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide is CCC1CC(=O)N(Cc2ccccc2NC(=O)c2cccs2)N=C1c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide?
The InChIKey is MIEGLCFHJCHDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4S/c1-4-17-15-24(30)29(28-25(17)18-11-12-21(32-2)22(14-18)33-3)16-19-8-5-6-9-20(19)27-26(31)23-10-7-13-34-23/h5-14,17H,4,15-16H2,1-3H3,(H,27,31).
What are the key properties of N-[2-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide?
N-[2-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide has a molecular weight of 477.59 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 54073612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).