2-(azocan-1-yl)-N-(3-methylsulfonylphenyl)acetamide

C16H24N2O3S — CID 8680067

IUPAC2-(azocan-1-yl)-N-(3-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1cccc(NC(=O)CN2CCCCCCC2)c1
InChIInChI=1S/C16H24N2O3S/c1-22(20,21)15-9-7-8-14(12-15)17-16(19)13-18-10-5-3-2-4-6-11-18/h7-9,12H,2-6,10-11,13H2,1H3,(H,17,19)
InChIKeyHXRLIQPKROYEEX-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.29
Rot. Bonds4

About 2-(azocan-1-yl)-N-(3-methylsulfonylphenyl)acetamide

2-(azocan-1-yl)-N-(3-methylsulfonylphenyl)acetamide (PubChem CID 8680067) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-(azocan-1-yl)-N-(3-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(azocan-1-yl)-N-(3-methylsulfonylphenyl)acetamide
PubChem CID8680067
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name2-(azocan-1-yl)-N-(3-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1cccc(NC(=O)CN2CCCCCCC2)c1
InChIInChI=1S/C16H24N2O3S/c1-22(20,21)15-9-7-8-14(12-15)17-16(19)13-18-10-5-3-2-4-6-11-18/h7-9,12H,2-6,10-11,13H2,1H3,(H,17,19)
InChIKeyHXRLIQPKROYEEX-UHFFFAOYSA-N
XLogP2.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3R)-1-[2-(3-methylsulfonylanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8561487
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
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N-(3-methylsulfonylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8618487
2-(azepan-1-yl)-N-(3-bromophenyl)acetamide
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2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(3-methylsulfonylphenyl)acetamide
CID 26630779
3-[[2-(azepan-1-yl)acetyl]amino]benzamide
CID 54814769
N-(3-fluorophenyl)-2-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]acetamide
CID 9020337
2-(azocan-1-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 8680183
3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide
CID 8679990
N-(3-methylsulfonylphenyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide
CID 42956011

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-N-(3-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(azocan-1-yl)-N-(3-methylsulfonylphenyl)acetamide (CID 8680067) is 2-(azocan-1-yl)-N-(3-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(azocan-1-yl)-N-(3-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(azocan-1-yl)-N-(3-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1cccc(NC(=O)CN2CCCCCCC2)c1.
What is the InChIKey of 2-(azocan-1-yl)-N-(3-methylsulfonylphenyl)acetamide?
The InChIKey is HXRLIQPKROYEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-22(20,21)15-9-7-8-14(12-15)17-16(19)13-18-10-5-3-2-4-6-11-18/h7-9,12H,2-6,10-11,13H2,1H3,(H,17,19).
What are the key properties of 2-(azocan-1-yl)-N-(3-methylsulfonylphenyl)acetamide?
2-(azocan-1-yl)-N-(3-methylsulfonylphenyl)acetamide has a molecular weight of 324.45 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-N-(3-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 8680067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).