N-benzyl-2-[(4-methylphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide

C27H33N3O4S2 — CID 3612818

About N-benzyl-2-[(4-methylphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide

N-benzyl-2-[(4-methylphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3612818) has the molecular formula C27H33N3O4S2 and a molecular weight of 527.71 g/mol. Its IUPAC name is N-benzyl-2-[(4-methylphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-benzyl-2-[(4-methylphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
• PubChem CID: 3612818
• Molecular Formula: C27H33N3O4S2
• Molecular Weight: 527.71 g/mol
• Exact Mass: 527.19
• IUPAC Name: N-benzyl-2-[(4-methylphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
• SMILES: Cc1ccc(S(=O)(=O)N(CCN2CCOCC2)CC(=O)N(Cc2ccccc2)Cc2cccs2)cc1
• InChI: InChI=1S/C27H33N3O4S2/c1-23-9-11-26(12-10-23)36(32,33)30(14-13-28-15-17-34-18-16-28)22-27(31)29(21-25-8-5-19-35-25)20-24-6-3-2-4-7-24/h2-12,19H,13-18,20-22H2,1H3
• InChIKey: XDJOWVWVCNJIOK-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 70.16 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.71
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-methylphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide?

The IUPAC name of N-benzyl-2-[(4-methylphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide (CID 3612818) is N-benzyl-2-[(4-methylphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide.

What is the SMILES notation for N-benzyl-2-[(4-methylphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide?

The canonical SMILES for N-benzyl-2-[(4-methylphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide is Cc1ccc(S(=O)(=O)N(CCN2CCOCC2)CC(=O)N(Cc2ccccc2)Cc2cccs2)cc1.

What is the InChIKey of N-benzyl-2-[(4-methylphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide?

The InChIKey is XDJOWVWVCNJIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4S2/c1-23-9-11-26(12-10-23)36(32,33)30(14-13-28-15-17-34-18-16-28)22-27(31)29(21-25-8-5-19-35-25)20-24-6-3-2-4-7-24/h2-12,19H,13-18,20-22H2,1H3.

What are the key properties of N-benzyl-2-[(4-methylphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide?

N-benzyl-2-[(4-methylphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 527.71 g/mol, XLogP of 3.61, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[(4-methylphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3612818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).