ethyl 2-[2-[2-[2-chloro-5-[[2-chloro-5-(methylsulfamoyl)phenyl]sulfamoyl]anilino]-1-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-2-oxoethyl]-4-oxoquinazolin-3-yl]acetate

C32H30Cl2N6O11S2 — CID 71213695

About ethyl 2-[2-[2-[2-chloro-5-[[2-chloro-5-(methylsulfamoyl)phenyl]sulfamoyl]anilino]-1-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-2-oxoethyl]-4-oxoquinazolin-3-yl]acetate

ethyl 2-[2-[2-[2-chloro-5-[[2-chloro-5-(methylsulfamoyl)phenyl]sulfamoyl]anilino]-1-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-2-oxoethyl]-4-oxoquinazolin-3-yl]acetate (PubChem CID 71213695) has the molecular formula C32H30Cl2N6O11S2 and a molecular weight of 809.66 g/mol. Its IUPAC name is ethyl 2-[2-[2-[2-chloro-5-[[2-chloro-5-(methylsulfamoyl)phenyl]sulfamoyl]anilino]-1-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-2-oxoethyl]-4-oxoquinazolin-3-yl]acetate.

Molecular Properties

• Compound Name: ethyl 2-[2-[2-[2-chloro-5-[[2-chloro-5-(methylsulfamoyl)phenyl]sulfamoyl]anilino]-1-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-2-oxoethyl]-4-oxoquinazolin-3-yl]acetate
• PubChem CID: 71213695
• Molecular Formula: C32H30Cl2N6O11S2
• Molecular Weight: 809.66 g/mol
• Exact Mass: 808.08
• IUPAC Name: ethyl 2-[2-[2-[2-chloro-5-[[2-chloro-5-(methylsulfamoyl)phenyl]sulfamoyl]anilino]-1-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-2-oxoethyl]-4-oxoquinazolin-3-yl]acetate
• SMILES: CCOC(=O)Cn1c(C(C(=O)Nc2cc(S(=O)(=O)Nc3cc(S(=O)(=O)NC)ccc3Cl)ccc2Cl)N2C(=O)OC(C)(C)C2=O)nc2ccccc2c1=O
• InChI: InChI=1S/C32H30Cl2N6O11S2/c1-5-50-25(41)16-39-27(36-22-9-7-6-8-19(22)29(39)43)26(40-30(44)32(2,3)51-31(40)45)28(42)37-23-14-18(11-12-20(23)33)53(48,49)38-24-15-17(10-13-21(24)34)52(46,47)35-4/h6-15,26,35,38H,5,16H2,1-4H3,(H,37,42)
• InChIKey: RHRWSCQFYBRYCZ-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 229.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	809.66
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-[2-chloro-5-[[2-chloro-5-(methylsulfamoyl)phenyl]sulfamoyl]anilino]-1-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-2-oxoethyl]-4-oxoquinazolin-3-yl]acetate?

The IUPAC name of ethyl 2-[2-[2-[2-chloro-5-[[2-chloro-5-(methylsulfamoyl)phenyl]sulfamoyl]anilino]-1-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-2-oxoethyl]-4-oxoquinazolin-3-yl]acetate (CID 71213695) is ethyl 2-[2-[2-[2-chloro-5-[[2-chloro-5-(methylsulfamoyl)phenyl]sulfamoyl]anilino]-1-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-2-oxoethyl]-4-oxoquinazolin-3-yl]acetate.

What is the SMILES notation for ethyl 2-[2-[2-[2-chloro-5-[[2-chloro-5-(methylsulfamoyl)phenyl]sulfamoyl]anilino]-1-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-2-oxoethyl]-4-oxoquinazolin-3-yl]acetate?

The canonical SMILES for ethyl 2-[2-[2-[2-chloro-5-[[2-chloro-5-(methylsulfamoyl)phenyl]sulfamoyl]anilino]-1-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-2-oxoethyl]-4-oxoquinazolin-3-yl]acetate is CCOC(=O)Cn1c(C(C(=O)Nc2cc(S(=O)(=O)Nc3cc(S(=O)(=O)NC)ccc3Cl)ccc2Cl)N2C(=O)OC(C)(C)C2=O)nc2ccccc2c1=O.

What is the InChIKey of ethyl 2-[2-[2-[2-chloro-5-[[2-chloro-5-(methylsulfamoyl)phenyl]sulfamoyl]anilino]-1-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-2-oxoethyl]-4-oxoquinazolin-3-yl]acetate?

The InChIKey is RHRWSCQFYBRYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30Cl2N6O11S2/c1-5-50-25(41)16-39-27(36-22-9-7-6-8-19(22)29(39)43)26(40-30(44)32(2,3)51-31(40)45)28(42)37-23-14-18(11-12-20(23)33)53(48,49)38-24-15-17(10-13-21(24)34)52(46,47)35-4/h6-15,26,35,38H,5,16H2,1-4H3,(H,37,42).

What are the key properties of ethyl 2-[2-[2-[2-chloro-5-[[2-chloro-5-(methylsulfamoyl)phenyl]sulfamoyl]anilino]-1-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-2-oxoethyl]-4-oxoquinazolin-3-yl]acetate?

ethyl 2-[2-[2-[2-chloro-5-[[2-chloro-5-(methylsulfamoyl)phenyl]sulfamoyl]anilino]-1-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-2-oxoethyl]-4-oxoquinazolin-3-yl]acetate has a molecular weight of 809.66 g/mol, XLogP of 3.41, 12 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[2-[2-[2-chloro-5-[[2-chloro-5-(methylsulfamoyl)phenyl]sulfamoyl]anilino]-1-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-2-oxoethyl]-4-oxoquinazolin-3-yl]acetate is sourced from PubChem (CID 71213695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).