2-[benzenesulfonyl(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide

C26H29FN2O4S2 — CID 5010137

About 2-[benzenesulfonyl(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide

2-[benzenesulfonyl(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide (PubChem CID 5010137) has the molecular formula C26H29FN2O4S2 and a molecular weight of 516.66 g/mol. Its IUPAC name is 2-[benzenesulfonyl(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[benzenesulfonyl(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
• PubChem CID: 5010137
• Molecular Formula: C26H29FN2O4S2
• Molecular Weight: 516.66 g/mol
• Exact Mass: 516.16
• IUPAC Name: 2-[benzenesulfonyl(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
• SMILES: Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC2CCCO2)S(=O)(=O)c2ccccc2)s1
• InChI: InChI=1S/C26H29FN2O4S2/c1-20-9-14-24(34-20)18-28(16-21-10-12-22(27)13-11-21)26(30)19-29(17-23-6-5-15-33-23)35(31,32)25-7-3-2-4-8-25/h2-4,7-14,23H,5-6,15-19H2,1H3
• InChIKey: PEXXHYHRVHIILM-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 66.92 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.66
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide?

The IUPAC name of 2-[benzenesulfonyl(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide (CID 5010137) is 2-[benzenesulfonyl(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide.

What is the SMILES notation for 2-[benzenesulfonyl(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide?

The canonical SMILES for 2-[benzenesulfonyl(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide is Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC2CCCO2)S(=O)(=O)c2ccccc2)s1.

What is the InChIKey of 2-[benzenesulfonyl(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide?

The InChIKey is PEXXHYHRVHIILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2O4S2/c1-20-9-14-24(34-20)18-28(16-21-10-12-22(27)13-11-21)26(30)19-29(17-23-6-5-15-33-23)35(31,32)25-7-3-2-4-8-25/h2-4,7-14,23H,5-6,15-19H2,1H3.

What are the key properties of 2-[benzenesulfonyl(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide?

2-[benzenesulfonyl(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 516.66 g/mol, XLogP of 4.59, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[benzenesulfonyl(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 5010137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).