3-[[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N,N-dimethylbenzenesulfonamide

C24H26N4O5S — CID 41236436

About 3-[[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N,N-dimethylbenzenesulfonamide

3-[[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 41236436) has the molecular formula C24H26N4O5S and a molecular weight of 482.56 g/mol. Its IUPAC name is 3-[[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

• Compound Name: 3-[[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N,N-dimethylbenzenesulfonamide
• PubChem CID: 41236436
• Molecular Formula: C24H26N4O5S
• Molecular Weight: 482.56 g/mol
• Exact Mass: 482.16
• IUPAC Name: 3-[[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N,N-dimethylbenzenesulfonamide
• SMILES: COc1ccc(C2=NN(C(=O)CNc3cccc(S(=O)(=O)N(C)C)c3)[C@@H](c3ccco3)C2)cc1
• InChI: InChI=1S/C24H26N4O5S/c1-27(2)34(30,31)20-7-4-6-18(14-20)25-16-24(29)28-22(23-8-5-13-33-23)15-21(26-28)17-9-11-19(32-3)12-10-17/h4-14,22,25H,15-16H2,1-3H3/t22-/m1/s1
• InChIKey: QZSDCGJINRUBNW-JOCHJYFZSA-N
• XLogP: 3.33
• TPSA: 104.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.56
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N,N-dimethylbenzenesulfonamide?

The IUPAC name of 3-[[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N,N-dimethylbenzenesulfonamide (CID 41236436) is 3-[[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N,N-dimethylbenzenesulfonamide.

What is the SMILES notation for 3-[[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N,N-dimethylbenzenesulfonamide?

The canonical SMILES for 3-[[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N,N-dimethylbenzenesulfonamide is COc1ccc(C2=NN(C(=O)CNc3cccc(S(=O)(=O)N(C)C)c3)[C@@H](c3ccco3)C2)cc1.

What is the InChIKey of 3-[[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N,N-dimethylbenzenesulfonamide?

The InChIKey is QZSDCGJINRUBNW-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H26N4O5S/c1-27(2)34(30,31)20-7-4-6-18(14-20)25-16-24(29)28-22(23-8-5-13-33-23)15-21(26-28)17-9-11-19(32-3)12-10-17/h4-14,22,25H,15-16H2,1-3H3/t22-/m1/s1.

What are the key properties of 3-[[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N,N-dimethylbenzenesulfonamide?

3-[[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 482.56 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 41236436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).