2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide

C27H31ClN2O5S — CID 92915087

About 2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide

2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide (PubChem CID 92915087) has the molecular formula C27H31ClN2O5S and a molecular weight of 531.07 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

• Compound Name: 2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
• PubChem CID: 92915087
• Molecular Formula: C27H31ClN2O5S
• Molecular Weight: 531.07 g/mol
• Exact Mass: 530.16
• IUPAC Name: 2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
• SMILES: Cc1ccc(CN(CCc2ccccc2)C(=O)CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(Cl)cc2)o1
• InChI: InChI=1S/C27H31ClN2O5S/c1-21-9-12-25(35-21)18-29(16-15-22-6-3-2-4-7-22)27(31)20-30(19-24-8-5-17-34-24)36(32,33)26-13-10-23(28)11-14-26/h2-4,6-7,9-14,24H,5,8,15-20H2,1H3/t24-/m1/s1
• InChIKey: FPEHOBWOKZCZPI-XMMPIXPASA-N
• XLogP: 4.68
• TPSA: 80.06 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.07
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?

The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide (CID 92915087) is 2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide.

What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?

The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide is Cc1ccc(CN(CCc2ccccc2)C(=O)CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(Cl)cc2)o1.

What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?

The InChIKey is FPEHOBWOKZCZPI-XMMPIXPASA-N. The full InChI is InChI=1S/C27H31ClN2O5S/c1-21-9-12-25(35-21)18-29(16-15-22-6-3-2-4-7-22)27(31)20-30(19-24-8-5-17-34-24)36(32,33)26-13-10-23(28)11-14-26/h2-4,6-7,9-14,24H,5,8,15-20H2,1H3/t24-/m1/s1.

What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?

2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide has a molecular weight of 531.07 g/mol, XLogP of 4.68, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 92915087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).