N-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide

C21H21N3O2S — CID 24624601

About N-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide (PubChem CID 24624601) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide.

Molecular Properties

• Compound Name: N-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
• PubChem CID: 24624601
• Molecular Formula: C21H21N3O2S
• Molecular Weight: 379.49 g/mol
• Exact Mass: 379.14
• IUPAC Name: N-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
• SMILES: CC(=O)N1CCc2cc(NC(=O)c3c(-n4cccc4)sc(C)c3C)ccc21
• InChI: InChI=1S/C21H21N3O2S/c1-13-14(2)27-21(23-9-4-5-10-23)19(13)20(26)22-17-6-7-18-16(12-17)8-11-24(18)15(3)25/h4-7,9-10,12H,8,11H2,1-3H3,(H,22,26)
• InChIKey: CJNKGBAIAKCQHI-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 54.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.49
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide?

The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide (CID 24624601) is N-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide.

What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide?

The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide is CC(=O)N1CCc2cc(NC(=O)c3c(-n4cccc4)sc(C)c3C)ccc21.

What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide?

The InChIKey is CJNKGBAIAKCQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-13-14(2)27-21(23-9-4-5-10-23)19(13)20(26)22-17-6-7-18-16(12-17)8-11-24(18)15(3)25/h4-7,9-10,12H,8,11H2,1-3H3,(H,22,26).

What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide?

N-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide is sourced from PubChem (CID 24624601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).