2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-4,5-dimethoxybenzenesulfonamide

C34H44N4O7S — CID 22574677

IUPAC2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-4,5-dimethoxybenzenesulfonamide
SMILESCCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2cc(OC)c(OC)cc2S(=O)(=O)Nc2noc(C)c2C)c(COCC)c1
InChIInChI=1S/C34H44N4O7S/c1-7-9-12-31-35-34(15-10-11-16-34)33(39)38(31)20-24-13-14-26(25(17-24)21-44-8-2)27-18-28(42-5)29(43-6)19-30(27)46(40,41)37-32-22(3)23(4)45-36-32/h13-14,17-19H,7-12,15-16,20-21H2,1-6H3,(H,36,37)
InChIKeySMMAUMXZSDEDPS-UHFFFAOYSA-N
MW652.81 g/mol
LogP6.56
Rot. Bonds14

About 2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-4,5-dimethoxybenzenesulfonamide

2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-4,5-dimethoxybenzenesulfonamide (PubChem CID 22574677) has the molecular formula C34H44N4O7S and a molecular weight of 652.81 g/mol. Its IUPAC name is 2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-4,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound Name2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-4,5-dimethoxybenzenesulfonamide
PubChem CID22574677
Molecular FormulaC34H44N4O7S
Molecular Weight652.81 g/mol
Exact Mass652.29
IUPAC Name2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-4,5-dimethoxybenzenesulfonamide
SMILESCCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2cc(OC)c(OC)cc2S(=O)(=O)Nc2noc(C)c2C)c(COCC)c1
InChIInChI=1S/C34H44N4O7S/c1-7-9-12-31-35-34(15-10-11-16-34)33(39)38(31)20-24-13-14-26(25(17-24)21-44-8-2)27-18-28(42-5)29(43-6)19-30(27)46(40,41)37-32-22(3)23(4)45-36-32/h13-14,17-19H,7-12,15-16,20-21H2,1-6H3,(H,36,37)
InChIKeySMMAUMXZSDEDPS-UHFFFAOYSA-N
XLogP6.56
TPSA132.56 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.81
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-4,5-dimethoxybenzenesulfonamide?
The IUPAC name of 2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-4,5-dimethoxybenzenesulfonamide (CID 22574677) is 2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-4,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for 2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-4,5-dimethoxybenzenesulfonamide?
The canonical SMILES for 2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-4,5-dimethoxybenzenesulfonamide is CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2cc(OC)c(OC)cc2S(=O)(=O)Nc2noc(C)c2C)c(COCC)c1.
What is the InChIKey of 2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-4,5-dimethoxybenzenesulfonamide?
The InChIKey is SMMAUMXZSDEDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N4O7S/c1-7-9-12-31-35-34(15-10-11-16-34)33(39)38(31)20-24-13-14-26(25(17-24)21-44-8-2)27-18-28(42-5)29(43-6)19-30(27)46(40,41)37-32-22(3)23(4)45-36-32/h13-14,17-19H,7-12,15-16,20-21H2,1-6H3,(H,36,37).
What are the key properties of 2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-4,5-dimethoxybenzenesulfonamide?
2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-4,5-dimethoxybenzenesulfonamide has a molecular weight of 652.81 g/mol, XLogP of 6.56, 14 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-4,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 22574677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).