2-cyclopropylsulfonyl-N-(2-fluoro-5-methylphenyl)-2-azaspiro[4.5]decane-4-carboxamide

C20H27FN2O3S — CID 53183447

IUPAC2-cyclopropylsulfonyl-N-(2-fluoro-5-methylphenyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1ccc(F)c(NC(=O)C2CN(S(=O)(=O)C3CC3)CC23CCCCC3)c1
InChIInChI=1S/C20H27FN2O3S/c1-14-5-8-17(21)18(11-14)22-19(24)16-12-23(27(25,26)15-6-7-15)13-20(16)9-3-2-4-10-20/h5,8,11,15-16H,2-4,6-7,9-10,12-13H2,1H3,(H,22,24)
InChIKeyVLQWYZKNIYPEDF-UHFFFAOYSA-N
MW394.51 g/mol
LogP3.45
Rot. Bonds4

About 2-cyclopropylsulfonyl-N-(2-fluoro-5-methylphenyl)-2-azaspiro[4.5]decane-4-carboxamide

2-cyclopropylsulfonyl-N-(2-fluoro-5-methylphenyl)-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 53183447) has the molecular formula C20H27FN2O3S and a molecular weight of 394.51 g/mol. Its IUPAC name is 2-cyclopropylsulfonyl-N-(2-fluoro-5-methylphenyl)-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropylsulfonyl-N-(2-fluoro-5-methylphenyl)-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID53183447
Molecular FormulaC20H27FN2O3S
Molecular Weight394.51 g/mol
Exact Mass394.17
IUPAC Name2-cyclopropylsulfonyl-N-(2-fluoro-5-methylphenyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1ccc(F)c(NC(=O)C2CN(S(=O)(=O)C3CC3)CC23CCCCC3)c1
InChIInChI=1S/C20H27FN2O3S/c1-14-5-8-17(21)18(11-14)22-19(24)16-12-23(27(25,26)15-6-7-15)13-20(16)9-3-2-4-10-20/h5,8,11,15-16H,2-4,6-7,9-10,12-13H2,1H3,(H,22,24)
InChIKeyVLQWYZKNIYPEDF-UHFFFAOYSA-N
XLogP3.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropylsulfonyl-N-(2-fluoro-5-methylphenyl)-2-azaspiro[4.5]decane-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[[4-tert-butyl-2-[butyl(methyl)amino]phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 137648188
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-fluorophenyl)benzamide
CID 16025436
3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-(4-ethylphenyl)benzamide
CID 16025498
N-[(4-tert-butyl-2-pyrrolidin-1-ylphenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 137658691
3-(1,1-dioxo-1lambda~6~,2-thiazolidin-2-yl)-N-[(4-fluorophenyl)methyl]benzamide
CID 16025464
3-(1,1-Dioxido-2-isothiazolidinyl)-N-(3-methylphenyl)benzamide
CID 16025466
CID 134808110
CID 134808110
N-(3,5-dimethylphenyl)-3-(1,1-dioxidoisothiazolidin-2-yl)benzamide
CID 16025462
CID 134805044
CID 134805044
3-[cyclopentylsulfonyl(methyl)amino]-N-(4-fluorophenyl)benzamide
CID 145950541
US10654853, Example 26
CID 137378699
N-(3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-2-(4-fluorophenyl)acetamide
CID 7638756

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylsulfonyl-N-(2-fluoro-5-methylphenyl)-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-cyclopropylsulfonyl-N-(2-fluoro-5-methylphenyl)-2-azaspiro[4.5]decane-4-carboxamide (CID 53183447) is 2-cyclopropylsulfonyl-N-(2-fluoro-5-methylphenyl)-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-cyclopropylsulfonyl-N-(2-fluoro-5-methylphenyl)-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-cyclopropylsulfonyl-N-(2-fluoro-5-methylphenyl)-2-azaspiro[4.5]decane-4-carboxamide is Cc1ccc(F)c(NC(=O)C2CN(S(=O)(=O)C3CC3)CC23CCCCC3)c1.
What is the InChIKey of 2-cyclopropylsulfonyl-N-(2-fluoro-5-methylphenyl)-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is VLQWYZKNIYPEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O3S/c1-14-5-8-17(21)18(11-14)22-19(24)16-12-23(27(25,26)15-6-7-15)13-20(16)9-3-2-4-10-20/h5,8,11,15-16H,2-4,6-7,9-10,12-13H2,1H3,(H,22,24).
What are the key properties of 2-cyclopropylsulfonyl-N-(2-fluoro-5-methylphenyl)-2-azaspiro[4.5]decane-4-carboxamide?
2-cyclopropylsulfonyl-N-(2-fluoro-5-methylphenyl)-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 394.51 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylsulfonyl-N-(2-fluoro-5-methylphenyl)-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 53183447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).