3-cyclopentylsulfonyl-N-(2,6-diethylphenyl)propanamide

C18H27NO3S — CID 86997629

IUPAC3-cyclopentylsulfonyl-N-(2,6-diethylphenyl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C18H27NO3S/c1-3-14-8-7-9-15(4-2)18(14)19-17(20)12-13-23(21,22)16-10-5-6-11-16/h7-9,16H,3-6,10-13H2,1-2H3,(H,19,20)
InChIKeyDJFXVPLLSZLHBH-UHFFFAOYSA-N
MW337.49 g/mol
LogP3.50
Rot. Bonds7

About 3-cyclopentylsulfonyl-N-(2,6-diethylphenyl)propanamide

3-cyclopentylsulfonyl-N-(2,6-diethylphenyl)propanamide (PubChem CID 86997629) has the molecular formula C18H27NO3S and a molecular weight of 337.49 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-N-(2,6-diethylphenyl)propanamide.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-N-(2,6-diethylphenyl)propanamide
PubChem CID86997629
Molecular FormulaC18H27NO3S
Molecular Weight337.49 g/mol
Exact Mass337.17
IUPAC Name3-cyclopentylsulfonyl-N-(2,6-diethylphenyl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C18H27NO3S/c1-3-14-8-7-9-15(4-2)18(14)19-17(20)12-13-23(21,22)16-10-5-6-11-16/h7-9,16H,3-6,10-13H2,1-2H3,(H,19,20)
InChIKeyDJFXVPLLSZLHBH-UHFFFAOYSA-N
XLogP3.50
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-cyclopentylsulfonylpropanoylamino)phenyl]acetic acid
CID 119218357
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CID 55864853
2-(cyclopentylamino)-N-(2,6-diethylphenyl)acetamide
CID 60647214
N-cycloheptyl-N'-(2,6-diethylphenyl)propanediamide
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3-(4-chlorophenyl)sulfonyl-N-(2,6-diethylphenyl)propanamide
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N-(2,6-diethylphenyl)-4-oxopentanamide
CID 65419318
3-cyclopentylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 47048221
N-[3-chloro-4-(dimethylamino)phenyl]-3-cyclopentylsulfonylpropanamide
CID 51124450
N-cyclohexyl-4-(3-cyclopentylsulfonylpropanoylamino)-N-methylbenzamide
CID 55920389
N-(2,6-diethylphenyl)cyclopropanecarboxamide
CID 5238371
3-[acetyl(cycloheptyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-N-(2,6-diethylphenyl)propanamide?
The IUPAC name of 3-cyclopentylsulfonyl-N-(2,6-diethylphenyl)propanamide (CID 86997629) is 3-cyclopentylsulfonyl-N-(2,6-diethylphenyl)propanamide.
What is the SMILES notation for 3-cyclopentylsulfonyl-N-(2,6-diethylphenyl)propanamide?
The canonical SMILES for 3-cyclopentylsulfonyl-N-(2,6-diethylphenyl)propanamide is CCc1cccc(CC)c1NC(=O)CCS(=O)(=O)C1CCCC1.
What is the InChIKey of 3-cyclopentylsulfonyl-N-(2,6-diethylphenyl)propanamide?
The InChIKey is DJFXVPLLSZLHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3S/c1-3-14-8-7-9-15(4-2)18(14)19-17(20)12-13-23(21,22)16-10-5-6-11-16/h7-9,16H,3-6,10-13H2,1-2H3,(H,19,20).
What are the key properties of 3-cyclopentylsulfonyl-N-(2,6-diethylphenyl)propanamide?
3-cyclopentylsulfonyl-N-(2,6-diethylphenyl)propanamide has a molecular weight of 337.49 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-N-(2,6-diethylphenyl)propanamide is sourced from PubChem (CID 86997629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).