N-(3-cyanothiophen-2-yl)-2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]acetamide

C24H23N3OS — CID 55840782

About N-(3-cyanothiophen-2-yl)-2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]acetamide

N-(3-cyanothiophen-2-yl)-2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]acetamide (PubChem CID 55840782) has the molecular formula C24H23N3OS and a molecular weight of 401.54 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]acetamide.

Molecular Properties

• Compound Name: N-(3-cyanothiophen-2-yl)-2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]acetamide
• PubChem CID: 55840782
• Molecular Formula: C24H23N3OS
• Molecular Weight: 401.54 g/mol
• Exact Mass: 401.16
• IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]acetamide
• SMILES: Cc1ccc(CN(CC(=O)Nc2sccc2C#N)C2CCc3ccccc32)cc1
• InChI: InChI=1S/C24H23N3OS/c1-17-6-8-18(9-7-17)15-27(22-11-10-19-4-2-3-5-21(19)22)16-23(28)26-24-20(14-25)12-13-29-24/h2-9,12-13,22H,10-11,15-16H2,1H3,(H,26,28)
• InChIKey: GAQVMCLMGLJVPA-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 56.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	401.54
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]acetamide?

The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]acetamide (CID 55840782) is N-(3-cyanothiophen-2-yl)-2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]acetamide.

What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]acetamide?

The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]acetamide is Cc1ccc(CN(CC(=O)Nc2sccc2C#N)C2CCc3ccccc32)cc1.

What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]acetamide?

The InChIKey is GAQVMCLMGLJVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3OS/c1-17-6-8-18(9-7-17)15-27(22-11-10-19-4-2-3-5-21(19)22)16-23(28)26-24-20(14-25)12-13-29-24/h2-9,12-13,22H,10-11,15-16H2,1H3,(H,26,28).

What are the key properties of N-(3-cyanothiophen-2-yl)-2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]acetamide?

N-(3-cyanothiophen-2-yl)-2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]acetamide has a molecular weight of 401.54 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-cyanothiophen-2-yl)-2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 55840782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).