[2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate

C32H29N3O9S — CID 23767236

About [2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate

[2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate (PubChem CID 23767236) has the molecular formula C32H29N3O9S and a molecular weight of 631.66 g/mol. Its IUPAC name is [2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

• Compound Name: [2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
• PubChem CID: 23767236
• Molecular Formula: C32H29N3O9S
• Molecular Weight: 631.66 g/mol
• Exact Mass: 631.16
• IUPAC Name: [2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
• SMILES: COc1ccc(-c2oc(NC(=O)COC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)c(C#N)c2-c2ccc(OC)cc2)cc1
• InChI: InChI=1S/C32H29N3O9S/c1-40-24-10-6-21(7-11-24)29-27(19-33)31(44-30(29)22-8-12-25(41-2)13-9-22)34-28(36)20-43-32(37)23-4-3-5-26(18-23)45(38,39)35-14-16-42-17-15-35/h3-13,18H,14-17,20H2,1-2H3,(H,34,36)
• InChIKey: OIQSNOQEEJCBON-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 157.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	631.66
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate?

The IUPAC name of [2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate (CID 23767236) is [2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate.

What is the SMILES notation for [2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate?

The canonical SMILES for [2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate is COc1ccc(-c2oc(NC(=O)COC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)c(C#N)c2-c2ccc(OC)cc2)cc1.

What is the InChIKey of [2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate?

The InChIKey is OIQSNOQEEJCBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3O9S/c1-40-24-10-6-21(7-11-24)29-27(19-33)31(44-30(29)22-8-12-25(41-2)13-9-22)34-28(36)20-43-32(37)23-4-3-5-26(18-23)45(38,39)35-14-16-42-17-15-35/h3-13,18H,14-17,20H2,1-2H3,(H,34,36).

What are the key properties of [2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate?

[2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 631.66 g/mol, XLogP of 4.32, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 23767236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).