2-(6-azaspiro[2.5]octan-6-yl)-4-methylsulfonyl-N-(3-propan-2-ylphenyl)benzamide

C24H30N2O3S — CID 155780973

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-4-methylsulfonyl-N-(3-propan-2-ylphenyl)benzamide
SMILESCC(C)c1cccc(NC(=O)c2ccc(S(C)(=O)=O)cc2N2CCC3(CC2)CC3)c1
InChIInChI=1S/C24H30N2O3S/c1-17(2)18-5-4-6-19(15-18)25-23(27)21-8-7-20(30(3,28)29)16-22(21)26-13-11-24(9-10-24)12-14-26/h4-8,15-17H,9-14H2,1-3H3,(H,25,27)
InChIKeyWYPQLTZOGMJMEQ-UHFFFAOYSA-N
MW426.58 g/mol
LogP4.85
Rot. Bonds5

About 2-(6-azaspiro[2.5]octan-6-yl)-4-methylsulfonyl-N-(3-propan-2-ylphenyl)benzamide

2-(6-azaspiro[2.5]octan-6-yl)-4-methylsulfonyl-N-(3-propan-2-ylphenyl)benzamide (PubChem CID 155780973) has the molecular formula C24H30N2O3S and a molecular weight of 426.58 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-4-methylsulfonyl-N-(3-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-4-methylsulfonyl-N-(3-propan-2-ylphenyl)benzamide
PubChem CID155780973
Molecular FormulaC24H30N2O3S
Molecular Weight426.58 g/mol
Exact Mass426.20
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-4-methylsulfonyl-N-(3-propan-2-ylphenyl)benzamide
SMILESCC(C)c1cccc(NC(=O)c2ccc(S(C)(=O)=O)cc2N2CCC3(CC2)CC3)c1
InChIInChI=1S/C24H30N2O3S/c1-17(2)18-5-4-6-19(15-18)25-23(27)21-8-7-20(30(3,28)29)16-22(21)26-13-11-24(9-10-24)12-14-26/h4-8,15-17H,9-14H2,1-3H3,(H,25,27)
InChIKeyWYPQLTZOGMJMEQ-UHFFFAOYSA-N
XLogP4.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-azaspiro[2.5]octan-6-yl)-N-(3-methylsulfonylphenyl)-4-sulfamoylbenzamide
CID 155780988
2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-4-methylsulfonylbenzamide
CID 167548149
2-(6-azaspiro[2.5]octan-6-yl)-N-[2-[[(2R)-2-hydroxypropyl]amino]-6-methylpyrimidin-4-yl]-4-methylsulfonylbenzamide
CID 149389645
CID 155780788
CID 155780788
2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylamino)sulfanylphenyl]-4-(1-hydroxypropan-2-yl)benzamide
CID 155780844
2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-[(1-methylcyclopropyl)sulfonylamino]benzamide
CID 155780813
2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(4,4-difluoropiperidin-1-yl)phenyl]-4-[(1-ethynylcyclopropyl)sulfonylamino]benzamide
CID 176805062
2,3,4-trihydroxy-N-[3-[(3-propan-2-ylphenyl)sulfamoyl]phenyl]benzamide
CID 58626316
2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-(1-methylimidazol-2-yl)benzamide
CID 155780864
2-(6-azaspiro[2.5]octan-6-yl)-N-[4-cyclopropyl-3-(4,4-difluoropiperidin-1-yl)phenyl]-4-iodobenzamide
CID 170179125
N-[4-(4,4-difluoropiperidin-1-yl)pyrimidin-2-yl]-2-(4,4-dimethyl-1,4-azasilinan-1-yl)-4-methylsulfonylbenzamide
CID 171824862
2-fluoro-4-hydroxy-N-(3-propan-2-ylphenyl)benzamide
CID 103939983

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-4-methylsulfonyl-N-(3-propan-2-ylphenyl)benzamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-4-methylsulfonyl-N-(3-propan-2-ylphenyl)benzamide (CID 155780973) is 2-(6-azaspiro[2.5]octan-6-yl)-4-methylsulfonyl-N-(3-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-4-methylsulfonyl-N-(3-propan-2-ylphenyl)benzamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-4-methylsulfonyl-N-(3-propan-2-ylphenyl)benzamide is CC(C)c1cccc(NC(=O)c2ccc(S(C)(=O)=O)cc2N2CCC3(CC2)CC3)c1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-4-methylsulfonyl-N-(3-propan-2-ylphenyl)benzamide?
The InChIKey is WYPQLTZOGMJMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3S/c1-17(2)18-5-4-6-19(15-18)25-23(27)21-8-7-20(30(3,28)29)16-22(21)26-13-11-24(9-10-24)12-14-26/h4-8,15-17H,9-14H2,1-3H3,(H,25,27).
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-4-methylsulfonyl-N-(3-propan-2-ylphenyl)benzamide?
2-(6-azaspiro[2.5]octan-6-yl)-4-methylsulfonyl-N-(3-propan-2-ylphenyl)benzamide has a molecular weight of 426.58 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-yl)-4-methylsulfonyl-N-(3-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 155780973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).