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

C22H31N5O5S — CID 146072448

IUPACN-[(2-methoxyphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl]acetamide
SMILESCOc1ccccc1CNC(=O)CN1CC2(CCN(S(C)(=O)=O)CC2)CC1c1nc(C)no1
InChIInChI=1S/C22H31N5O5S/c1-16-24-21(32-25-16)18-12-22(8-10-27(11-9-22)33(3,29)30)15-26(18)14-20(28)23-13-17-6-4-5-7-19(17)31-2/h4-7,18H,8-15H2,1-3H3,(H,23,28)
InChIKeySRFZUHCJVDBREU-UHFFFAOYSA-N
MW477.59 g/mol
LogP1.49
Rot. Bonds7

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

N-[(2-methoxyphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl]acetamide (PubChem CID 146072448) has the molecular formula C22H31N5O5S and a molecular weight of 477.59 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)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-[(2-methoxyphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl]acetamide
PubChem CID146072448
Molecular FormulaC22H31N5O5S
Molecular Weight477.59 g/mol
Exact Mass477.20
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl]acetamide
SMILESCOc1ccccc1CNC(=O)CN1CC2(CCN(S(C)(=O)=O)CC2)CC1c1nc(C)no1
InChIInChI=1S/C22H31N5O5S/c1-16-24-21(32-25-16)18-12-22(8-10-27(11-9-22)33(3,29)30)15-26(18)14-20(28)23-13-17-6-4-5-7-19(17)31-2/h4-7,18H,8-15H2,1-3H3,(H,23,28)
InChIKeySRFZUHCJVDBREU-UHFFFAOYSA-N
XLogP1.49
TPSA117.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
N-[(2-chlorophenyl)methyl]-2-[8-(cyclopropanecarbonyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 146072434
N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 774752
N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 129351669
2-(2-formylpiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 62654429
2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 37076696
2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51170947
2-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 74239322
2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 56500927
2-(4-fluoropiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171701323
N-[(2-methoxyphenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110410122

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)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-[(2-methoxyphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl]acetamide (CID 146072448) is N-[(2-methoxyphenyl)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-[(2-methoxyphenyl)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-[(2-methoxyphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl]acetamide is COc1ccccc1CNC(=O)CN1CC2(CCN(S(C)(=O)=O)CC2)CC1c1nc(C)no1.
What is the InChIKey of N-[(2-methoxyphenyl)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 SRFZUHCJVDBREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O5S/c1-16-24-21(32-25-16)18-12-22(8-10-27(11-9-22)33(3,29)30)15-26(18)14-20(28)23-13-17-6-4-5-7-19(17)31-2/h4-7,18H,8-15H2,1-3H3,(H,23,28).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl]acetamide?
N-[(2-methoxyphenyl)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 477.59 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)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 146072448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).