4-tert-butyl-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide

C23H27N3O2S2 — CID 42575172

About 4-tert-butyl-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide

4-tert-butyl-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide (PubChem CID 42575172) has the molecular formula C23H27N3O2S2 and a molecular weight of 441.62 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 4-tert-butyl-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide
• PubChem CID: 42575172
• Molecular Formula: C23H27N3O2S2
• Molecular Weight: 441.62 g/mol
• Exact Mass: 441.15
• IUPAC Name: 4-tert-butyl-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide
• SMILES: Cc1nc(-c2ccc(CCNC(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)s2)cs1
• InChI: InChI=1S/C23H27N3O2S2/c1-15-26-19(14-29-15)20-10-9-18(30-20)11-12-24-21(27)13-25-22(28)16-5-7-17(8-6-16)23(2,3)4/h5-10,14H,11-13H2,1-4H3,(H,24,27)(H,25,28)
• InChIKey: SSQVDARLPBDEFY-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.62
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide?

The IUPAC name of 4-tert-butyl-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide (CID 42575172) is 4-tert-butyl-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide.

What is the SMILES notation for 4-tert-butyl-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide?

The canonical SMILES for 4-tert-butyl-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide is Cc1nc(-c2ccc(CCNC(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)s2)cs1.

What is the InChIKey of 4-tert-butyl-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide?

The InChIKey is SSQVDARLPBDEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S2/c1-15-26-19(14-29-15)20-10-9-18(30-20)11-12-24-21(27)13-25-22(28)16-5-7-17(8-6-16)23(2,3)4/h5-10,14H,11-13H2,1-4H3,(H,24,27)(H,25,28).

What are the key properties of 4-tert-butyl-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide?

4-tert-butyl-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide has a molecular weight of 441.62 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 42575172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).