4-(3,4-dimethoxyphenyl)sulfonyl-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide

C22H26FN3O6S — CID 57403244

IUPAC4-(3,4-dimethoxyphenyl)sulfonyl-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)Nc2ccccc2)CC3F)cc1OC
InChIInChI=1S/C22H26FN3O6S/c1-30-18-9-8-17(14-19(18)31-2)33(28,29)26-12-13-32-22(26)10-11-25(15-20(22)23)21(27)24-16-6-4-3-5-7-16/h3-9,14,20H,10-13,15H2,1-2H3,(H,24,27)
InChIKeyMITAEJMHOIHGTB-UHFFFAOYSA-N
MW479.53 g/mol
LogP2.70
Rot. Bonds5

About 4-(3,4-dimethoxyphenyl)sulfonyl-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide

4-(3,4-dimethoxyphenyl)sulfonyl-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 57403244) has the molecular formula C22H26FN3O6S and a molecular weight of 479.53 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)sulfonyl-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)sulfonyl-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID57403244
Molecular FormulaC22H26FN3O6S
Molecular Weight479.53 g/mol
Exact Mass479.15
IUPAC Name4-(3,4-dimethoxyphenyl)sulfonyl-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)Nc2ccccc2)CC3F)cc1OC
InChIInChI=1S/C22H26FN3O6S/c1-30-18-9-8-17(14-19(18)31-2)33(28,29)26-12-13-32-22(26)10-11-25(15-20(22)23)21(27)24-16-6-4-3-5-7-16/h3-9,14,20H,10-13,15H2,1-2H3,(H,24,27)
InChIKeyMITAEJMHOIHGTB-UHFFFAOYSA-N
XLogP2.70
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3,4-dimethoxyphenyl)sulfonyl-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 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 4-(3,4-dimethoxyphenyl)sulfonyl-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)sulfonyl-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide (CID 57403244) is 4-(3,4-dimethoxyphenyl)sulfonyl-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)sulfonyl-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)sulfonyl-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide is COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)Nc2ccccc2)CC3F)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)sulfonyl-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is MITAEJMHOIHGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O6S/c1-30-18-9-8-17(14-19(18)31-2)33(28,29)26-12-13-32-22(26)10-11-25(15-20(22)23)21(27)24-16-6-4-3-5-7-16/h3-9,14,20H,10-13,15H2,1-2H3,(H,24,27).
What are the key properties of 4-(3,4-dimethoxyphenyl)sulfonyl-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide?
4-(3,4-dimethoxyphenyl)sulfonyl-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 479.53 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)sulfonyl-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 57403244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).