(6R)-2-[(2-fluorobenzoyl)amino]-6-methyl-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C24H23FN2O2S — CID 1367002

About (6R)-2-[(2-fluorobenzoyl)amino]-6-methyl-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

(6R)-2-[(2-fluorobenzoyl)amino]-6-methyl-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 1367002) has the molecular formula C24H23FN2O2S and a molecular weight of 422.53 g/mol. Its IUPAC name is (6R)-2-[(2-fluorobenzoyl)amino]-6-methyl-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

• Compound Name: (6R)-2-[(2-fluorobenzoyl)amino]-6-methyl-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
• PubChem CID: 1367002
• Molecular Formula: C24H23FN2O2S
• Molecular Weight: 422.53 g/mol
• Exact Mass: 422.15
• IUPAC Name: (6R)-2-[(2-fluorobenzoyl)amino]-6-methyl-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
• SMILES: Cc1cccc(NC(=O)c2c(NC(=O)c3ccccc3F)sc3c2CC[C@@H](C)C3)c1
• InChI: InChI=1S/C24H23FN2O2S/c1-14-6-5-7-16(12-14)26-23(29)21-18-11-10-15(2)13-20(18)30-24(21)27-22(28)17-8-3-4-9-19(17)25/h3-9,12,15H,10-11,13H2,1-2H3,(H,26,29)(H,27,28)/t15-/m1/s1
• InChIKey: VGOCDVQAZXYWGQ-OAHLLOKOSA-N
• XLogP: 5.83
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.53
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (6R)-2-[(2-fluorobenzoyl)amino]-6-methyl-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?

The IUPAC name of (6R)-2-[(2-fluorobenzoyl)amino]-6-methyl-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 1367002) is (6R)-2-[(2-fluorobenzoyl)amino]-6-methyl-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

What is the SMILES notation for (6R)-2-[(2-fluorobenzoyl)amino]-6-methyl-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?

The canonical SMILES for (6R)-2-[(2-fluorobenzoyl)amino]-6-methyl-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is Cc1cccc(NC(=O)c2c(NC(=O)c3ccccc3F)sc3c2CC[C@@H](C)C3)c1.

What is the InChIKey of (6R)-2-[(2-fluorobenzoyl)amino]-6-methyl-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?

The InChIKey is VGOCDVQAZXYWGQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H23FN2O2S/c1-14-6-5-7-16(12-14)26-23(29)21-18-11-10-15(2)13-20(18)30-24(21)27-22(28)17-8-3-4-9-19(17)25/h3-9,12,15H,10-11,13H2,1-2H3,(H,26,29)(H,27,28)/t15-/m1/s1.

What are the key properties of (6R)-2-[(2-fluorobenzoyl)amino]-6-methyl-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?

(6R)-2-[(2-fluorobenzoyl)amino]-6-methyl-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 5.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-2-[(2-fluorobenzoyl)amino]-6-methyl-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 1367002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).