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

C24H23N3OS2 — CID 93064801

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

N-[5-ethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]benzamide (PubChem CID 93064801) has the molecular formula C24H23N3OS2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-[5-ethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[5-ethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]benzamide
• PubChem CID: 93064801
• Molecular Formula: C24H23N3OS2
• Molecular Weight: 433.60 g/mol
• Exact Mass: 433.13
• IUPAC Name: N-[5-ethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]benzamide
• SMILES: CCc1cc([C@H](Nc2cccc(C)n2)c2ccsc2)c(NC(=O)c2ccccc2)s1
• InChI: InChI=1S/C24H23N3OS2/c1-3-19-14-20(24(30-19)27-23(28)17-9-5-4-6-10-17)22(18-12-13-29-15-18)26-21-11-7-8-16(2)25-21/h4-15,22H,3H2,1-2H3,(H,25,26)(H,27,28)/t22-/m1/s1
• InChIKey: DFWTYXJPZLYOMH-JOCHJYFZSA-N
• XLogP: 6.53
• TPSA: 54.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.60
LogP ≤ 5	6.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[5-ethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]benzamide (CID 93064801) is N-[5-ethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]benzamide.

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

The canonical SMILES for N-[5-ethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]benzamide is CCc1cc([C@H](Nc2cccc(C)n2)c2ccsc2)c(NC(=O)c2ccccc2)s1.

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

The InChIKey is DFWTYXJPZLYOMH-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H23N3OS2/c1-3-19-14-20(24(30-19)27-23(28)17-9-5-4-6-10-17)22(18-12-13-29-15-18)26-21-11-7-8-16(2)25-21/h4-15,22H,3H2,1-2H3,(H,25,26)(H,27,28)/t22-/m1/s1.

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

N-[5-ethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]benzamide has a molecular weight of 433.60 g/mol, XLogP of 6.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-ethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]benzamide is sourced from PubChem (CID 93064801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).