2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-N,N-dimethylacetamide

C25H27N5O4S2 — CID 53232760

About 2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-N,N-dimethylacetamide

2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-N,N-dimethylacetamide (PubChem CID 53232760) has the molecular formula C25H27N5O4S2 and a molecular weight of 525.66 g/mol. Its IUPAC name is 2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-N,N-dimethylacetamide
• PubChem CID: 53232760
• Molecular Formula: C25H27N5O4S2
• Molecular Weight: 525.66 g/mol
• Exact Mass: 525.15
• IUPAC Name: 2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-N,N-dimethylacetamide
• SMILES: CC(C)Oc1ccc(-c2nnc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CC(=O)N(C)C)s2)cc1C#N
• InChI: InChI=1S/C25H27N5O4S2/c1-15(2)34-22-11-8-16(12-17(22)13-26)24-27-28-25(35-24)20-7-5-6-19-18(20)9-10-21(19)29-36(32,33)14-23(31)30(3)4/h5-8,11-12,15,21,29H,9-10,14H2,1-4H3/t21-/m1/s1
• InChIKey: LBVMDDWIJRAABB-OAQYLSRUSA-N
• XLogP: 3.53
• TPSA: 125.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.66
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-N,N-dimethylacetamide?

The IUPAC name of 2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-N,N-dimethylacetamide (CID 53232760) is 2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-N,N-dimethylacetamide.

What is the SMILES notation for 2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-N,N-dimethylacetamide?

The canonical SMILES for 2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-N,N-dimethylacetamide is CC(C)Oc1ccc(-c2nnc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CC(=O)N(C)C)s2)cc1C#N.

What is the InChIKey of 2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-N,N-dimethylacetamide?

The InChIKey is LBVMDDWIJRAABB-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H27N5O4S2/c1-15(2)34-22-11-8-16(12-17(22)13-26)24-27-28-25(35-24)20-7-5-6-19-18(20)9-10-21(19)29-36(32,33)14-23(31)30(3)4/h5-8,11-12,15,21,29H,9-10,14H2,1-4H3/t21-/m1/s1.

What are the key properties of 2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-N,N-dimethylacetamide?

2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-N,N-dimethylacetamide has a molecular weight of 525.66 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-N,N-dimethylacetamide is sourced from PubChem (CID 53232760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).