2-[5-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[2-[(4-chloro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]-N,N-dimethylacetamide

C32H38ClN5O5S — CID 171572204

IUPAC2-[5-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[2-[(4-chloro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]-N,N-dimethylacetamide
SMILESCCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2Cl)c(CC(=O)N(C)C)c1
InChIInChI=1S/C32H38ClN5O5S/c1-5-6-13-27-34-32(16-9-10-17-32)31(40)38(27)20-22-14-15-24(23(18-22)19-28(39)37(3)4)25-11-7-8-12-26(25)44(41,42)36-30-29(33)21(2)43-35-30/h7-8,11-12,14-15,18H,5-6,9-10,13,16-17,19-20H2,1-4H3,(H,35,36)
InChIKeyHQPXWOHWJTWHBH-UHFFFAOYSA-N
MW640.21 g/mol
LogP5.98
Rot. Bonds11

About 2-[5-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[2-[(4-chloro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]-N,N-dimethylacetamide

2-[5-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[2-[(4-chloro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]-N,N-dimethylacetamide (PubChem CID 171572204) has the molecular formula C32H38ClN5O5S and a molecular weight of 640.21 g/mol. Its IUPAC name is 2-[5-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[2-[(4-chloro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[2-[(4-chloro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]-N,N-dimethylacetamide
PubChem CID171572204
Molecular FormulaC32H38ClN5O5S
Molecular Weight640.21 g/mol
Exact Mass639.23
IUPAC Name2-[5-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[2-[(4-chloro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]-N,N-dimethylacetamide
SMILESCCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2Cl)c(CC(=O)N(C)C)c1
InChIInChI=1S/C32H38ClN5O5S/c1-5-6-13-27-34-32(16-9-10-17-32)31(40)38(27)20-22-14-15-24(23(18-22)19-28(39)37(3)4)25-11-7-8-12-26(25)44(41,42)36-30-29(33)21(2)43-35-30/h7-8,11-12,14-15,18H,5-6,9-10,13,16-17,19-20H2,1-4H3,(H,35,36)
InChIKeyHQPXWOHWJTWHBH-UHFFFAOYSA-N
XLogP5.98
TPSA125.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.21
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[2-[(4-chloro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]-N,N-dimethylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[2-[(4-chloro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[5-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[2-[(4-chloro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]-N,N-dimethylacetamide (CID 171572204) is 2-[5-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[2-[(4-chloro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[2-[(4-chloro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[2-[(4-chloro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]-N,N-dimethylacetamide is CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2Cl)c(CC(=O)N(C)C)c1.
What is the InChIKey of 2-[5-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[2-[(4-chloro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]-N,N-dimethylacetamide?
The InChIKey is HQPXWOHWJTWHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38ClN5O5S/c1-5-6-13-27-34-32(16-9-10-17-32)31(40)38(27)20-22-14-15-24(23(18-22)19-28(39)37(3)4)25-11-7-8-12-26(25)44(41,42)36-30-29(33)21(2)43-35-30/h7-8,11-12,14-15,18H,5-6,9-10,13,16-17,19-20H2,1-4H3,(H,35,36).
What are the key properties of 2-[5-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[2-[(4-chloro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]-N,N-dimethylacetamide?
2-[5-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[2-[(4-chloro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]-N,N-dimethylacetamide has a molecular weight of 640.21 g/mol, XLogP of 5.98, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[2-[(4-chloro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 171572204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).