N-[4,5-dimethyl-3-[(S)-[(6-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]benzamide

C24H23N3OS2 — CID 93064787

About N-[4,5-dimethyl-3-[(S)-[(6-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]benzamide

N-[4,5-dimethyl-3-[(S)-[(6-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]benzamide (PubChem CID 93064787) has the molecular formula C24H23N3OS2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-[4,5-dimethyl-3-[(S)-[(6-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[4,5-dimethyl-3-[(S)-[(6-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]benzamide
• PubChem CID: 93064787
• Molecular Formula: C24H23N3OS2
• Molecular Weight: 433.60 g/mol
• Exact Mass: 433.13
• IUPAC Name: N-[4,5-dimethyl-3-[(S)-[(6-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]benzamide
• SMILES: Cc1cccc(N[C@@H](c2ccsc2)c2c(NC(=O)c3ccccc3)sc(C)c2C)n1
• InChI: InChI=1S/C24H23N3OS2/c1-15-8-7-11-20(25-15)26-22(19-12-13-29-14-19)21-16(2)17(3)30-24(21)27-23(28)18-9-5-4-6-10-18/h4-14,22H,1-3H3,(H,25,26)(H,27,28)/t22-/m0/s1
• InChIKey: IZZXLVUMCPCRFO-QFIPXVFZSA-N
• XLogP: 6.58
• TPSA: 54.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.60
LogP ≤ 5	6.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethyl-3-[(S)-[(6-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]benzamide?

The IUPAC name of N-[4,5-dimethyl-3-[(S)-[(6-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]benzamide (CID 93064787) is N-[4,5-dimethyl-3-[(S)-[(6-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]benzamide.

What is the SMILES notation for N-[4,5-dimethyl-3-[(S)-[(6-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]benzamide?

The canonical SMILES for N-[4,5-dimethyl-3-[(S)-[(6-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]benzamide is Cc1cccc(N[C@@H](c2ccsc2)c2c(NC(=O)c3ccccc3)sc(C)c2C)n1.

What is the InChIKey of N-[4,5-dimethyl-3-[(S)-[(6-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]benzamide?

The InChIKey is IZZXLVUMCPCRFO-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H23N3OS2/c1-15-8-7-11-20(25-15)26-22(19-12-13-29-14-19)21-16(2)17(3)30-24(21)27-23(28)18-9-5-4-6-10-18/h4-14,22H,1-3H3,(H,25,26)(H,27,28)/t22-/m0/s1.

What are the key properties of N-[4,5-dimethyl-3-[(S)-[(6-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]benzamide?

N-[4,5-dimethyl-3-[(S)-[(6-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]benzamide has a molecular weight of 433.60 g/mol, XLogP of 6.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4,5-dimethyl-3-[(S)-[(6-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]benzamide is sourced from PubChem (CID 93064787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).