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

C20H27FN2O3S — CID 53183439

IUPAC2-cyclopropylsulfonyl-N-(4-fluoro-2-methylphenyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1cc(F)ccc1NC(=O)C1CN(S(=O)(=O)C2CC2)CC12CCCCC2
InChIInChI=1S/C20H27FN2O3S/c1-14-11-15(21)5-8-18(14)22-19(24)17-12-23(27(25,26)16-6-7-16)13-20(17)9-3-2-4-10-20/h5,8,11,16-17H,2-4,6-7,9-10,12-13H2,1H3,(H,22,24)
InChIKeySAOMULPUMZJIRT-UHFFFAOYSA-N
MW394.51 g/mol
LogP3.45
Rot. Bonds4

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

2-cyclopropylsulfonyl-N-(4-fluoro-2-methylphenyl)-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 53183439) has the molecular formula C20H27FN2O3S and a molecular weight of 394.51 g/mol. Its IUPAC name is 2-cyclopropylsulfonyl-N-(4-fluoro-2-methylphenyl)-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropylsulfonyl-N-(4-fluoro-2-methylphenyl)-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID53183439
Molecular FormulaC20H27FN2O3S
Molecular Weight394.51 g/mol
Exact Mass394.17
IUPAC Name2-cyclopropylsulfonyl-N-(4-fluoro-2-methylphenyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1cc(F)ccc1NC(=O)C1CN(S(=O)(=O)C2CC2)CC12CCCCC2
InChIInChI=1S/C20H27FN2O3S/c1-14-11-15(21)5-8-18(14)22-19(24)17-12-23(27(25,26)16-6-7-16)13-20(17)9-3-2-4-10-20/h5,8,11,16-17H,2-4,6-7,9-10,12-13H2,1H3,(H,22,24)
InChIKeySAOMULPUMZJIRT-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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylsulfonyl-N-(4-fluoro-2-methylphenyl)-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-cyclopropylsulfonyl-N-(4-fluoro-2-methylphenyl)-2-azaspiro[4.5]decane-4-carboxamide (CID 53183439) is 2-cyclopropylsulfonyl-N-(4-fluoro-2-methylphenyl)-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-cyclopropylsulfonyl-N-(4-fluoro-2-methylphenyl)-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-cyclopropylsulfonyl-N-(4-fluoro-2-methylphenyl)-2-azaspiro[4.5]decane-4-carboxamide is Cc1cc(F)ccc1NC(=O)C1CN(S(=O)(=O)C2CC2)CC12CCCCC2.
What is the InChIKey of 2-cyclopropylsulfonyl-N-(4-fluoro-2-methylphenyl)-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is SAOMULPUMZJIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O3S/c1-14-11-15(21)5-8-18(14)22-19(24)17-12-23(27(25,26)16-6-7-16)13-20(17)9-3-2-4-10-20/h5,8,11,16-17H,2-4,6-7,9-10,12-13H2,1H3,(H,22,24).
What are the key properties of 2-cyclopropylsulfonyl-N-(4-fluoro-2-methylphenyl)-2-azaspiro[4.5]decane-4-carboxamide?
2-cyclopropylsulfonyl-N-(4-fluoro-2-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-(4-fluoro-2-methylphenyl)-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 53183439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).