methyl N-[[5-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[2-[(5,6-dimethyl-2H-oxazin-4-yl)sulfamoyl]phenyl]phenyl]methyl]carbamate

C33H41N5O6S — CID 174345912

About methyl N-[[5-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[2-[(5,6-dimethyl-2H-oxazin-4-yl)sulfamoyl]phenyl]phenyl]methyl]carbamate

methyl N-[[5-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[2-[(5,6-dimethyl-2H-oxazin-4-yl)sulfamoyl]phenyl]phenyl]methyl]carbamate (PubChem CID 174345912) has the molecular formula C33H41N5O6S and a molecular weight of 635.79 g/mol. Its IUPAC name is methyl N-[[5-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[2-[(5,6-dimethyl-2H-oxazin-4-yl)sulfamoyl]phenyl]phenyl]methyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[[5-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[2-[(5,6-dimethyl-2H-oxazin-4-yl)sulfamoyl]phenyl]phenyl]methyl]carbamate
• PubChem CID: 174345912
• Molecular Formula: C33H41N5O6S
• Molecular Weight: 635.79 g/mol
• Exact Mass: 635.28
• IUPAC Name: methyl N-[[5-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[2-[(5,6-dimethyl-2H-oxazin-4-yl)sulfamoyl]phenyl]phenyl]methyl]carbamate
• SMILES: CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)NC2=CNOC(C)=C2C)c(CNC(=O)OC)c1
• InChI: InChI=1S/C33H41N5O6S/c1-5-6-13-30-36-33(16-9-10-17-33)31(39)38(30)21-24-14-15-26(25(18-24)19-34-32(40)43-4)27-11-7-8-12-29(27)45(41,42)37-28-20-35-44-23(3)22(28)2/h7-8,11-12,14-15,18,20,35,37H,5-6,9-10,13,16-17,19,21H2,1-4H3,(H,34,40)
• InChIKey: CKWGEJIFCZJBBC-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 138.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	635.79
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl N-[[5-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[2-[(5,6-dimethyl-2H-oxazin-4-yl)sulfamoyl]phenyl]phenyl]methyl]carbamate?

The IUPAC name of methyl N-[[5-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[2-[(5,6-dimethyl-2H-oxazin-4-yl)sulfamoyl]phenyl]phenyl]methyl]carbamate (CID 174345912) is methyl N-[[5-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[2-[(5,6-dimethyl-2H-oxazin-4-yl)sulfamoyl]phenyl]phenyl]methyl]carbamate.

What is the SMILES notation for methyl N-[[5-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[2-[(5,6-dimethyl-2H-oxazin-4-yl)sulfamoyl]phenyl]phenyl]methyl]carbamate?

The canonical SMILES for methyl N-[[5-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[2-[(5,6-dimethyl-2H-oxazin-4-yl)sulfamoyl]phenyl]phenyl]methyl]carbamate is CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)NC2=CNOC(C)=C2C)c(CNC(=O)OC)c1.

What is the InChIKey of methyl N-[[5-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[2-[(5,6-dimethyl-2H-oxazin-4-yl)sulfamoyl]phenyl]phenyl]methyl]carbamate?

The InChIKey is CKWGEJIFCZJBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N5O6S/c1-5-6-13-30-36-33(16-9-10-17-33)31(39)38(30)21-24-14-15-26(25(18-24)19-34-32(40)43-4)27-11-7-8-12-29(27)45(41,42)37-28-20-35-44-23(3)22(28)2/h7-8,11-12,14-15,18,20,35,37H,5-6,9-10,13,16-17,19,21H2,1-4H3,(H,34,40).

What are the key properties of methyl N-[[5-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[2-[(5,6-dimethyl-2H-oxazin-4-yl)sulfamoyl]phenyl]phenyl]methyl]carbamate?

methyl N-[[5-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[2-[(5,6-dimethyl-2H-oxazin-4-yl)sulfamoyl]phenyl]phenyl]methyl]carbamate has a molecular weight of 635.79 g/mol, XLogP of 5.40, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[[5-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[2-[(5,6-dimethyl-2H-oxazin-4-yl)sulfamoyl]phenyl]phenyl]methyl]carbamate is sourced from PubChem (CID 174345912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).