N-[2-[(3S)-5-(4-ethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide

C23H23N3O5S — CID 124847686

About N-[2-[(3S)-5-(4-ethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide

N-[2-[(3S)-5-(4-ethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide (PubChem CID 124847686) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is N-[2-[(3S)-5-(4-ethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[(3S)-5-(4-ethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide
• PubChem CID: 124847686
• Molecular Formula: C23H23N3O5S
• Molecular Weight: 453.52 g/mol
• Exact Mass: 453.14
• IUPAC Name: N-[2-[(3S)-5-(4-ethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide
• SMILES: CCOc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccccc3NS(C)(=O)=O)C2)cc1
• InChI: InChI=1S/C23H23N3O5S/c1-3-30-17-12-10-16(11-13-17)20-15-21(26(24-20)23(27)22-9-6-14-31-22)18-7-4-5-8-19(18)25-32(2,28)29/h4-14,21,25H,3,15H2,1-2H3/t21-/m0/s1
• InChIKey: LIYADZMWSTTZLS-NRFANRHFSA-N
• XLogP: 4.04
• TPSA: 101.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.52
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-5-(4-ethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide?

The IUPAC name of N-[2-[(3S)-5-(4-ethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide (CID 124847686) is N-[2-[(3S)-5-(4-ethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide.

What is the SMILES notation for N-[2-[(3S)-5-(4-ethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide?

The canonical SMILES for N-[2-[(3S)-5-(4-ethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide is CCOc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccccc3NS(C)(=O)=O)C2)cc1.

What is the InChIKey of N-[2-[(3S)-5-(4-ethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide?

The InChIKey is LIYADZMWSTTZLS-NRFANRHFSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-3-30-17-12-10-16(11-13-17)20-15-21(26(24-20)23(27)22-9-6-14-31-22)18-7-4-5-8-19(18)25-32(2,28)29/h4-14,21,25H,3,15H2,1-2H3/t21-/m0/s1.

What are the key properties of N-[2-[(3S)-5-(4-ethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide?

N-[2-[(3S)-5-(4-ethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide has a molecular weight of 453.52 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(3S)-5-(4-ethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 124847686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).