2-[(2,5-dichlorophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide

C26H28Cl2FN3O4S2 — CID 4641947

About 2-[(2,5-dichlorophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide

2-[(2,5-dichlorophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 4641947) has the molecular formula C26H28Cl2FN3O4S2 and a molecular weight of 600.57 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[(2,5-dichlorophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
• PubChem CID: 4641947
• Molecular Formula: C26H28Cl2FN3O4S2
• Molecular Weight: 600.57 g/mol
• Exact Mass: 599.09
• IUPAC Name: 2-[(2,5-dichlorophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
• SMILES: O=C(CN(CCN1CCOCC1)S(=O)(=O)c1cc(Cl)ccc1Cl)N(Cc1ccc(F)cc1)Cc1cccs1
• InChI: InChI=1S/C26H28Cl2FN3O4S2/c27-21-5-8-24(28)25(16-21)38(34,35)32(10-9-30-11-13-36-14-12-30)19-26(33)31(18-23-2-1-15-37-23)17-20-3-6-22(29)7-4-20/h1-8,15-16H,9-14,17-19H2
• InChIKey: QQTNTGGIQFGDEP-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 70.16 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	600.57
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide?

The IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide (CID 4641947) is 2-[(2,5-dichlorophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide.

What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide?

The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide is O=C(CN(CCN1CCOCC1)S(=O)(=O)c1cc(Cl)ccc1Cl)N(Cc1ccc(F)cc1)Cc1cccs1.

What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide?

The InChIKey is QQTNTGGIQFGDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Cl2FN3O4S2/c27-21-5-8-24(28)25(16-21)38(34,35)32(10-9-30-11-13-36-14-12-30)19-26(33)31(18-23-2-1-15-37-23)17-20-3-6-22(29)7-4-20/h1-8,15-16H,9-14,17-19H2.

What are the key properties of 2-[(2,5-dichlorophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide?

2-[(2,5-dichlorophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 600.57 g/mol, XLogP of 4.75, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2,5-dichlorophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 4641947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).