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

C23H21N3OS2 — CID 93480583

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

N-[5-methyl-3-[(S)-[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide (PubChem CID 93480583) has the molecular formula C23H21N3OS2 and a molecular weight of 419.58 g/mol. Its IUPAC name is N-[5-methyl-3-[(S)-[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[5-methyl-3-[(S)-[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide
• PubChem CID: 93480583
• Molecular Formula: C23H21N3OS2
• Molecular Weight: 419.58 g/mol
• Exact Mass: 419.11
• IUPAC Name: N-[5-methyl-3-[(S)-[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide
• SMILES: Cc1cccc(N[C@H](c2cccs2)c2cc(C)sc2NC(=O)c2ccccc2)n1
• InChI: InChI=1S/C23H21N3OS2/c1-15-8-6-12-20(24-15)25-21(19-11-7-13-28-19)18-14-16(2)29-23(18)26-22(27)17-9-4-3-5-10-17/h3-14,21H,1-2H3,(H,24,25)(H,26,27)/t21-/m0/s1
• InChIKey: IJHYZXJNZJPCHG-NRFANRHFSA-N
• XLogP: 6.28
• TPSA: 54.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.58
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[5-methyl-3-[(S)-[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide (CID 93480583) is N-[5-methyl-3-[(S)-[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide.

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

The canonical SMILES for N-[5-methyl-3-[(S)-[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide is Cc1cccc(N[C@H](c2cccs2)c2cc(C)sc2NC(=O)c2ccccc2)n1.

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

The InChIKey is IJHYZXJNZJPCHG-NRFANRHFSA-N. The full InChI is InChI=1S/C23H21N3OS2/c1-15-8-6-12-20(24-15)25-21(19-11-7-13-28-19)18-14-16(2)29-23(18)26-22(27)17-9-4-3-5-10-17/h3-14,21H,1-2H3,(H,24,25)(H,26,27)/t21-/m0/s1.

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

N-[5-methyl-3-[(S)-[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide has a molecular weight of 419.58 g/mol, XLogP of 6.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-methyl-3-[(S)-[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide is sourced from PubChem (CID 93480583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).