N-[1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide

C24H30N4O3S — CID 55869916

About N-[1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide

N-[1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide (PubChem CID 55869916) has the molecular formula C24H30N4O3S and a molecular weight of 454.60 g/mol. Its IUPAC name is N-[1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
• PubChem CID: 55869916
• Molecular Formula: C24H30N4O3S
• Molecular Weight: 454.60 g/mol
• Exact Mass: 454.20
• IUPAC Name: N-[1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
• SMILES: CC(C)C(NC(=O)c1cccs1)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1
• InChI: InChI=1S/C24H30N4O3S/c1-17(2)22(25-23(30)20-8-5-15-32-20)24(31)27-13-11-26(12-14-27)16-21(29)28-10-9-18-6-3-4-7-19(18)28/h3-8,15,17,22H,9-14,16H2,1-2H3,(H,25,30)
• InChIKey: VPENBTIRFUFNOR-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 72.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.60
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide (CID 55869916) is N-[1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide is CC(C)C(NC(=O)c1cccs1)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1.

What is the InChIKey of N-[1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?

The InChIKey is VPENBTIRFUFNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S/c1-17(2)22(25-23(30)20-8-5-15-32-20)24(31)27-13-11-26(12-14-27)16-21(29)28-10-9-18-6-3-4-7-19(18)28/h3-8,15,17,22H,9-14,16H2,1-2H3,(H,25,30).

What are the key properties of N-[1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?

N-[1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide has a molecular weight of 454.60 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55869916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).