2-(2-benzylsulfonyl-3,3-dimethyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(5-fluoro-2-methylphenyl)acetamide

C26H34FN3O3S — CID 110077714

IUPAC2-(2-benzylsulfonyl-3,3-dimethyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)CN1CCC2(CC1)CN(S(=O)(=O)Cc1ccccc1)C(C)(C)C2
InChIInChI=1S/C26H34FN3O3S/c1-20-9-10-22(27)15-23(20)28-24(31)16-29-13-11-26(12-14-29)18-25(2,3)30(19-26)34(32,33)17-21-7-5-4-6-8-21/h4-10,15H,11-14,16-19H2,1-3H3,(H,28,31)
InChIKeyPLADUCNNWLFNOW-UHFFFAOYSA-N
MW487.64 g/mol
LogP4.17
Rot. Bonds6

About 2-(2-benzylsulfonyl-3,3-dimethyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(5-fluoro-2-methylphenyl)acetamide

2-(2-benzylsulfonyl-3,3-dimethyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(5-fluoro-2-methylphenyl)acetamide (PubChem CID 110077714) has the molecular formula C26H34FN3O3S and a molecular weight of 487.64 g/mol. Its IUPAC name is 2-(2-benzylsulfonyl-3,3-dimethyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(5-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-benzylsulfonyl-3,3-dimethyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(5-fluoro-2-methylphenyl)acetamide
PubChem CID110077714
Molecular FormulaC26H34FN3O3S
Molecular Weight487.64 g/mol
Exact Mass487.23
IUPAC Name2-(2-benzylsulfonyl-3,3-dimethyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)CN1CCC2(CC1)CN(S(=O)(=O)Cc1ccccc1)C(C)(C)C2
InChIInChI=1S/C26H34FN3O3S/c1-20-9-10-22(27)15-23(20)28-24(31)16-29-13-11-26(12-14-29)18-25(2,3)30(19-26)34(32,33)17-21-7-5-4-6-8-21/h4-10,15H,11-14,16-19H2,1-3H3,(H,28,31)
InChIKeyPLADUCNNWLFNOW-UHFFFAOYSA-N
XLogP4.17
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.64
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324973
N-(5-fluoro-2-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 18084912
2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 110162486
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 1448805
N-(5-fluoro-2-methylphenyl)-2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide
CID 110162119
2-[3,3-dimethyl-2-(2-methylpropylsulfonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-(2,6-dimethylphenyl)acetamide
CID 110162268
N-(5-fluoro-2-methylphenyl)-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
CID 129456847
N-(5-fluoro-2-methylphenyl)-2-[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]acetamide
CID 110162295
N-(2,5-dimethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8747504
N-(5-fluoro-2-methylphenyl)-2-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 53030297
N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62917861
2-[2-(3-fluorophenyl)sulfonyl-3,3-dimethyl-2,9-diazaspiro[5.5]undecan-9-yl]-N-(4-phenoxyphenyl)acetamide
CID 110077790

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylsulfonyl-3,3-dimethyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(5-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-(2-benzylsulfonyl-3,3-dimethyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(5-fluoro-2-methylphenyl)acetamide (CID 110077714) is 2-(2-benzylsulfonyl-3,3-dimethyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(5-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-benzylsulfonyl-3,3-dimethyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(5-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(2-benzylsulfonyl-3,3-dimethyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(5-fluoro-2-methylphenyl)acetamide is Cc1ccc(F)cc1NC(=O)CN1CCC2(CC1)CN(S(=O)(=O)Cc1ccccc1)C(C)(C)C2.
What is the InChIKey of 2-(2-benzylsulfonyl-3,3-dimethyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(5-fluoro-2-methylphenyl)acetamide?
The InChIKey is PLADUCNNWLFNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN3O3S/c1-20-9-10-22(27)15-23(20)28-24(31)16-29-13-11-26(12-14-29)18-25(2,3)30(19-26)34(32,33)17-21-7-5-4-6-8-21/h4-10,15H,11-14,16-19H2,1-3H3,(H,28,31).
What are the key properties of 2-(2-benzylsulfonyl-3,3-dimethyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(5-fluoro-2-methylphenyl)acetamide?
2-(2-benzylsulfonyl-3,3-dimethyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(5-fluoro-2-methylphenyl)acetamide has a molecular weight of 487.64 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylsulfonyl-3,3-dimethyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(5-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 110077714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).