4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide

C24H21FN4O2S — CID 19486542

About 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide

4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide (PubChem CID 19486542) has the molecular formula C24H21FN4O2S and a molecular weight of 448.52 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide
• PubChem CID: 19486542
• Molecular Formula: C24H21FN4O2S
• Molecular Weight: 448.52 g/mol
• Exact Mass: 448.14
• IUPAC Name: 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide
• SMILES: O=C(Nc1ncn(Cc2ccccc2F)n1)c1cc(COc2ccc3c(c2)CCC3)cs1
• InChI: InChI=1S/C24H21FN4O2S/c25-21-7-2-1-4-19(21)12-29-15-26-24(28-29)27-23(30)22-10-16(14-32-22)13-31-20-9-8-17-5-3-6-18(17)11-20/h1-2,4,7-11,14-15H,3,5-6,12-13H2,(H,27,28,30)
• InChIKey: GOEFCLSTFADHOV-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 69.04 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	448.52
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide?

The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide (CID 19486542) is 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide.

What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide?

The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide is O=C(Nc1ncn(Cc2ccccc2F)n1)c1cc(COc2ccc3c(c2)CCC3)cs1.

What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide?

The InChIKey is GOEFCLSTFADHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2S/c25-21-7-2-1-4-19(21)12-29-15-26-24(28-29)27-23(30)22-10-16(14-32-22)13-31-20-9-8-17-5-3-6-18(17)11-20/h1-2,4,7-11,14-15H,3,5-6,12-13H2,(H,27,28,30).

What are the key properties of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide?

4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 19486542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).