N-[(3,4-dimethylphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl]acetamide

C23H33N5O4S — CID 146072451

IUPACN-[(3,4-dimethylphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl]acetamide
SMILESCc1noc(C2CC3(CCN(S(C)(=O)=O)CC3)CN2CC(=O)NCc2ccc(C)c(C)c2)n1
InChIInChI=1S/C23H33N5O4S/c1-16-5-6-19(11-17(16)2)13-24-21(29)14-27-15-23(7-9-28(10-8-23)33(4,30)31)12-20(27)22-25-18(3)26-32-22/h5-6,11,20H,7-10,12-15H2,1-4H3,(H,24,29)
InChIKeyDECUNGHFYIFOJP-UHFFFAOYSA-N
MW475.62 g/mol
LogP2.10
Rot. Bonds6

About N-[(3,4-dimethylphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl]acetamide

N-[(3,4-dimethylphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl]acetamide (PubChem CID 146072451) has the molecular formula C23H33N5O4S and a molecular weight of 475.62 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl]acetamide
PubChem CID146072451
Molecular FormulaC23H33N5O4S
Molecular Weight475.62 g/mol
Exact Mass475.23
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl]acetamide
SMILESCc1noc(C2CC3(CCN(S(C)(=O)=O)CC3)CN2CC(=O)NCc2ccc(C)c(C)c2)n1
InChIInChI=1S/C23H33N5O4S/c1-16-5-6-19(11-17(16)2)13-24-21(29)14-27-15-23(7-9-28(10-8-23)33(4,30)31)12-20(27)22-25-18(3)26-32-22/h5-6,11,20H,7-10,12-15H2,1-4H3,(H,24,29)
InChIKeyDECUNGHFYIFOJP-UHFFFAOYSA-N
XLogP2.10
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.62
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl]acetamide?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl]acetamide (CID 146072451) is N-[(3,4-dimethylphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl]acetamide.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl]acetamide?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl]acetamide is Cc1noc(C2CC3(CCN(S(C)(=O)=O)CC3)CN2CC(=O)NCc2ccc(C)c(C)c2)n1.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl]acetamide?
The InChIKey is DECUNGHFYIFOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O4S/c1-16-5-6-19(11-17(16)2)13-24-21(29)14-27-15-23(7-9-28(10-8-23)33(4,30)31)12-20(27)22-25-18(3)26-32-22/h5-6,11,20H,7-10,12-15H2,1-4H3,(H,24,29).
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl]acetamide?
N-[(3,4-dimethylphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl]acetamide has a molecular weight of 475.62 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl]acetamide is sourced from PubChem (CID 146072451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).