N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanamide

C23H28N4O4S — CID 17490556

About N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanamide

N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanamide (PubChem CID 17490556) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanamide
• PubChem CID: 17490556
• Molecular Formula: C23H28N4O4S
• Molecular Weight: 456.57 g/mol
• Exact Mass: 456.18
• IUPAC Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanamide
• SMILES: Cc1nn(C(C)C(=O)Nc2ccc3c(c2)CCC3)c(C)c1S(=O)(=O)N(C)Cc1ccco1
• InChI: InChI=1S/C23H28N4O4S/c1-15-22(32(29,30)26(4)14-21-9-6-12-31-21)16(2)27(25-15)17(3)23(28)24-20-11-10-18-7-5-8-19(18)13-20/h6,9-13,17H,5,7-8,14H2,1-4H3,(H,24,28)
• InChIKey: IVXNJKMDSLNSBA-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 97.44 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	456.57
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanamide?

The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanamide (CID 17490556) is N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanamide.

What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanamide?

The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanamide is Cc1nn(C(C)C(=O)Nc2ccc3c(c2)CCC3)c(C)c1S(=O)(=O)N(C)Cc1ccco1.

What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanamide?

The InChIKey is IVXNJKMDSLNSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S/c1-15-22(32(29,30)26(4)14-21-9-6-12-31-21)16(2)27(25-15)17(3)23(28)24-20-11-10-18-7-5-8-19(18)13-20/h6,9-13,17H,5,7-8,14H2,1-4H3,(H,24,28).

What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanamide?

N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanamide has a molecular weight of 456.57 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanamide is sourced from PubChem (CID 17490556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).