N-[7-(3-methylsulfonylpropanoyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide

C21H30N2O4S — CID 131691820

IUPACN-[7-(3-methylsulfonylpropanoyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide
SMILESCS(=O)(=O)CCC(=O)N1CCC2(CCC2NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C21H30N2O4S/c1-28(26,27)16-10-20(25)23-14-12-21(13-15-23)11-9-18(21)22-19(24)8-7-17-5-3-2-4-6-17/h2-6,18H,7-16H2,1H3,(H,22,24)
InChIKeyKRNUBPBYJOMNAY-UHFFFAOYSA-N
MW406.55 g/mol
LogP1.94
Rot. Bonds7

About N-[7-(3-methylsulfonylpropanoyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide

N-[7-(3-methylsulfonylpropanoyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide (PubChem CID 131691820) has the molecular formula C21H30N2O4S and a molecular weight of 406.55 g/mol. Its IUPAC name is N-[7-(3-methylsulfonylpropanoyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[7-(3-methylsulfonylpropanoyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide
PubChem CID131691820
Molecular FormulaC21H30N2O4S
Molecular Weight406.55 g/mol
Exact Mass406.19
IUPAC NameN-[7-(3-methylsulfonylpropanoyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide
SMILESCS(=O)(=O)CCC(=O)N1CCC2(CCC2NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C21H30N2O4S/c1-28(26,27)16-10-20(25)23-14-12-21(13-15-23)11-9-18(21)22-19(24)8-7-17-5-3-2-4-6-17/h2-6,18H,7-16H2,1H3,(H,22,24)
InChIKeyKRNUBPBYJOMNAY-UHFFFAOYSA-N
XLogP1.94
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[7-[2-[methyl(propan-2-yl)amino]acetyl]-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide
CID 131691829
N-[7-(1-methylindole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide
CID 131691818
N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 108561867
1-(3-methylsulfonylpropanoyl)-4-phenylpiperidine-4-carbonitrile
CID 131905041
1-[4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 56544721
N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 33220250
1-methyl-2-(3-phenylpropanoylamino)cyclohexane-1-carboxylic acid
CID 83209928
N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-phenylpropanamide
CID 99987386
3-(4-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide
CID 122276174
3-(4-methylsulfanylphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide
CID 122276240
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
N-[1-(3-phenylpropanoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108566076

Frequently Asked Questions

What is the IUPAC name of N-[7-(3-methylsulfonylpropanoyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[7-(3-methylsulfonylpropanoyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide (CID 131691820) is N-[7-(3-methylsulfonylpropanoyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[7-(3-methylsulfonylpropanoyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[7-(3-methylsulfonylpropanoyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide is CS(=O)(=O)CCC(=O)N1CCC2(CCC2NC(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-[7-(3-methylsulfonylpropanoyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide?
The InChIKey is KRNUBPBYJOMNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4S/c1-28(26,27)16-10-20(25)23-14-12-21(13-15-23)11-9-18(21)22-19(24)8-7-17-5-3-2-4-6-17/h2-6,18H,7-16H2,1H3,(H,22,24).
What are the key properties of N-[7-(3-methylsulfonylpropanoyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide?
N-[7-(3-methylsulfonylpropanoyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide has a molecular weight of 406.55 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(3-methylsulfonylpropanoyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 131691820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).