N-[4-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]thiophene-2-carboxamide

C28H29N3O4S — CID 18403652

About N-[4-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]thiophene-2-carboxamide

N-[4-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]thiophene-2-carboxamide (PubChem CID 18403652) has the molecular formula C28H29N3O4S and a molecular weight of 503.62 g/mol. Its IUPAC name is N-[4-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]thiophene-2-carboxamide
• PubChem CID: 18403652
• Molecular Formula: C28H29N3O4S
• Molecular Weight: 503.62 g/mol
• Exact Mass: 503.19
• IUPAC Name: N-[4-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]thiophene-2-carboxamide
• SMILES: COc1ccc(C2=NN(C(=O)c3ccc(NC(=O)c4cccs4)cc3)CCC2)cc1OC1CCCC1
• InChI: InChI=1S/C28H29N3O4S/c1-34-24-15-12-20(18-25(24)35-22-6-2-3-7-22)23-8-4-16-31(30-23)28(33)19-10-13-21(14-11-19)29-27(32)26-9-5-17-36-26/h5,9-15,17-18,22H,2-4,6-8,16H2,1H3,(H,29,32)
• InChIKey: VLQPUMLUHHKCKU-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 80.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.62
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]thiophene-2-carboxamide?

The IUPAC name of N-[4-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]thiophene-2-carboxamide (CID 18403652) is N-[4-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[4-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]thiophene-2-carboxamide?

The canonical SMILES for N-[4-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]thiophene-2-carboxamide is COc1ccc(C2=NN(C(=O)c3ccc(NC(=O)c4cccs4)cc3)CCC2)cc1OC1CCCC1.

What is the InChIKey of N-[4-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]thiophene-2-carboxamide?

The InChIKey is VLQPUMLUHHKCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4S/c1-34-24-15-12-20(18-25(24)35-22-6-2-3-7-22)23-8-4-16-31(30-23)28(33)19-10-13-21(14-11-19)29-27(32)26-9-5-17-36-26/h5,9-15,17-18,22H,2-4,6-8,16H2,1H3,(H,29,32).

What are the key properties of N-[4-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]thiophene-2-carboxamide?

N-[4-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]thiophene-2-carboxamide has a molecular weight of 503.62 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 18403652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).