N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(2-cyanophenyl)benzamide

C24H18N4O2S2 — CID 33002723

About N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(2-cyanophenyl)benzamide

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(2-cyanophenyl)benzamide (PubChem CID 33002723) has the molecular formula C24H18N4O2S2 and a molecular weight of 458.57 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(2-cyanophenyl)benzamide.

Molecular Properties

• Compound Name: N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(2-cyanophenyl)benzamide
• PubChem CID: 33002723
• Molecular Formula: C24H18N4O2S2
• Molecular Weight: 458.57 g/mol
• Exact Mass: 458.09
• IUPAC Name: N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(2-cyanophenyl)benzamide
• SMILES: CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccccc3-c3ccccc3C#N)n2)s1
• InChI: InChI=1S/C24H18N4O2S2/c1-15(29)26-13-17-10-11-22(32-17)21-14-31-24(27-21)28-23(30)20-9-5-4-8-19(20)18-7-3-2-6-16(18)12-25/h2-11,14H,13H2,1H3,(H,26,29)(H,27,28,30)
• InChIKey: HOISNAQKHCPKTR-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 94.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.57
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(2-cyanophenyl)benzamide?

The IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(2-cyanophenyl)benzamide (CID 33002723) is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(2-cyanophenyl)benzamide.

What is the SMILES notation for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(2-cyanophenyl)benzamide?

The canonical SMILES for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(2-cyanophenyl)benzamide is CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccccc3-c3ccccc3C#N)n2)s1.

What is the InChIKey of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(2-cyanophenyl)benzamide?

The InChIKey is HOISNAQKHCPKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2S2/c1-15(29)26-13-17-10-11-22(32-17)21-14-31-24(27-21)28-23(30)20-9-5-4-8-19(20)18-7-3-2-6-16(18)12-25/h2-11,14H,13H2,1H3,(H,26,29)(H,27,28,30).

What are the key properties of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(2-cyanophenyl)benzamide?

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(2-cyanophenyl)benzamide has a molecular weight of 458.57 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(2-cyanophenyl)benzamide is sourced from PubChem (CID 33002723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).