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

C24H21N3O3S2 — CID 55372945

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

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide (PubChem CID 55372945) has the molecular formula C24H21N3O3S2 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide.

Molecular Properties

• Compound Name: N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide
• PubChem CID: 55372945
• Molecular Formula: C24H21N3O3S2
• Molecular Weight: 463.58 g/mol
• Exact Mass: 463.10
• IUPAC Name: N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide
• SMILES: CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccccc3COc3ccccc3)n2)s1
• InChI: InChI=1S/C24H21N3O3S2/c1-16(28)25-13-19-11-12-22(32-19)21-15-31-24(26-21)27-23(29)20-10-6-5-7-17(20)14-30-18-8-3-2-4-9-18/h2-12,15H,13-14H2,1H3,(H,25,28)(H,26,27,29)
• InChIKey: WSVQWCXENNAAOS-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.58
LogP ≤ 5	5.34
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-(phenoxymethyl)benzamide?

The IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide (CID 55372945) is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide.

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

The canonical SMILES for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide is CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccccc3COc3ccccc3)n2)s1.

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

The InChIKey is WSVQWCXENNAAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S2/c1-16(28)25-13-19-11-12-22(32-19)21-15-31-24(26-21)27-23(29)20-10-6-5-7-17(20)14-30-18-8-3-2-4-9-18/h2-12,15H,13-14H2,1H3,(H,25,28)(H,26,27,29).

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

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide has a molecular weight of 463.58 g/mol, XLogP of 5.34, 8 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-(phenoxymethyl)benzamide is sourced from PubChem (CID 55372945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).